For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Ethyl 9-Desmethylretinoate

View entire compound with spectra: 2 MS (GC)

Ethyl 9-Desmethylretinoate
SpectraBase Compound ID DJhEZrr6hEP
InChI InChI=1S/C21H30O2/c1-6-23-20(22)16-17(2)12-9-7-8-10-14-19-18(3)13-11-15-21(19,4)5/h7-10,12,14,16H,6,11,13,15H2,1-5H3/b8-7+,12-9+,14-10+,17-16+
InChIKey WMTBIRKSQAZQCS-IIGNTUMRSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 94KuFAyv2og
Name Ethyl 9-Desmethylretinoate
Alternate Name(s) Ethyl 9-Demethylretinoate Ethyl (2E,4E,6E,8E)-3-methyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-6-23-20(22)16-17(2)12-9-7-8-10-14-19-18(3)13-11-15-21(19,4)5/h7-10,12,14,16H,6,11,13,15H2,1-5H3/b8-7+,12-9+,14-10+,17-16+
InChIKey WMTBIRKSQAZQCS-IIGNTUMRSA-N
Molecular Weight 314.469 g/mol
SMILES C1(=C(CCCC1(C)C)C)\C=C\C=C\C=C\C(=C\C(=O)OCC)C
SPLASH splash10-05r4-8900000000-62599d5602a33f960e97
Source of Spectrum SO-0-287-3
Wiley ID 1545514