Spectroscopic dataset of Hedione's derivatives gathered during process development
The dataset of spectroscopic analysis performed on starting materials, intermediates, and products relating to the synthesis of Hedione are hereby presented. The data were acquired in Durham university during the period between October 2020 and September 2021 for the development of a preparative met...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-02-01
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| Series: | Data in Brief |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352340922010046 |
| _version_ | 1828048322397470720 |
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| author | James S. Sharley Guido Gambacorta Ana María Collado Pérez Estela Espinos Ferri Amadeo Fernandez Miranda Jorge Sanchez Quesada Ian R. Baxendale |
| author_facet | James S. Sharley Guido Gambacorta Ana María Collado Pérez Estela Espinos Ferri Amadeo Fernandez Miranda Jorge Sanchez Quesada Ian R. Baxendale |
| author_sort | James S. Sharley |
| collection | DOAJ |
| description | The dataset of spectroscopic analysis performed on starting materials, intermediates, and products relating to the synthesis of Hedione are hereby presented. The data were acquired in Durham university during the period between October 2020 and September 2021 for the development of a preparative method to Dehydrohedione. The latter is a key intermediate for the synthesis of cis-Hedione, an important fragrance ingredient. Proton, Carbon-13, and Fluorine-19 Nuclear magnetic resonance of the compounds were recorded employing a Varian 600 MHz, and a Bruker Avance-400 instrument. The IR spectra were recorded in a Perkin Elmer Spectrum Two UATR Two FT-IR and the accurate mass employing a Waters QtoF premier as mass spectrometer. |
| first_indexed | 2024-04-10T18:54:38Z |
| format | Article |
| id | doaj.art-5fac70a1c969488285f4faa8560f31e2 |
| institution | Directory Open Access Journal |
| issn | 2352-3409 |
| language | English |
| last_indexed | 2024-04-10T18:54:38Z |
| publishDate | 2023-02-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Data in Brief |
| spelling | doaj.art-5fac70a1c969488285f4faa8560f31e22023-02-01T04:26:08ZengElsevierData in Brief2352-34092023-02-0146108801Spectroscopic dataset of Hedione's derivatives gathered during process developmentJames S. Sharley0Guido Gambacorta1Ana María Collado Pérez2Estela Espinos Ferri3Amadeo Fernandez Miranda4Jorge Sanchez Quesada5Ian R. Baxendale6Department of Chemistry, University of Durham, South Road, Durham DH1 3LE, UKDepartment of Chemistry, University of Durham, South Road, Durham DH1 3LE, UKInternational Flavours & Fragrances Inc., Avda Felipe Klein 2, Benicarló, Castellón 12580, SpainInternational Flavours & Fragrances Inc., Avda Felipe Klein 2, Benicarló, Castellón 12580, SpainInternational Flavours & Fragrances Inc., Avda Felipe Klein 2, Benicarló, Castellón 12580, SpainInternational Flavours & Fragrances Inc., Avda Felipe Klein 2, Benicarló, Castellón 12580, SpainDepartment of Chemistry, University of Durham, South Road, Durham DH1 3LE, UK; Corresponding author.The dataset of spectroscopic analysis performed on starting materials, intermediates, and products relating to the synthesis of Hedione are hereby presented. The data were acquired in Durham university during the period between October 2020 and September 2021 for the development of a preparative method to Dehydrohedione. The latter is a key intermediate for the synthesis of cis-Hedione, an important fragrance ingredient. Proton, Carbon-13, and Fluorine-19 Nuclear magnetic resonance of the compounds were recorded employing a Varian 600 MHz, and a Bruker Avance-400 instrument. The IR spectra were recorded in a Perkin Elmer Spectrum Two UATR Two FT-IR and the accurate mass employing a Waters QtoF premier as mass spectrometer.http://www.sciencedirect.com/science/article/pii/S2352340922010046HedioneChlorinationDehydrohedioneNMRFluorinationAccurate mass |
| spellingShingle | James S. Sharley Guido Gambacorta Ana María Collado Pérez Estela Espinos Ferri Amadeo Fernandez Miranda Jorge Sanchez Quesada Ian R. Baxendale Spectroscopic dataset of Hedione's derivatives gathered during process development Data in Brief Hedione Chlorination Dehydrohedione NMR Fluorination Accurate mass |
| title | Spectroscopic dataset of Hedione's derivatives gathered during process development |
| title_full | Spectroscopic dataset of Hedione's derivatives gathered during process development |
| title_fullStr | Spectroscopic dataset of Hedione's derivatives gathered during process development |
| title_full_unstemmed | Spectroscopic dataset of Hedione's derivatives gathered during process development |
| title_short | Spectroscopic dataset of Hedione's derivatives gathered during process development |
| title_sort | spectroscopic dataset of hedione s derivatives gathered during process development |
| topic | Hedione Chlorination Dehydrohedione NMR Fluorination Accurate mass |
| url | http://www.sciencedirect.com/science/article/pii/S2352340922010046 |
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