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Ethyl 13-Desmethylretinoate

View entire compound with spectra: 1 MS (GC)

Ethyl 13-Desmethylretinoate
SpectraBase Compound ID 1A4sgiSQxTd
InChI InChI=1S/C21H30O2/c1-6-23-20(22)13-9-7-8-11-17(2)14-15-19-18(3)12-10-16-21(19,4)5/h7-9,11,13-15H,6,10,12,16H2,1-5H3/b8-7+,13-9+,15-14+,17-11+
InChIKey BNCXNZKXIXUNMU-MWGMEIKSSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnV13bU4zfQ
Name Ethyl 13-Desmethylretinoate
Alternate Name(s) Ethyl (2E,4E,6E,8E)-7-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)13-9-7-8-11-17(2)14-15-19-18(3)12-10-16-21(19,4)5/h7-9,11,13-15H,6,10,12,16H2,1-5H3/b8-7+,13-9+,15-14+,17-11+
InChIKey BNCXNZKXIXUNMU-MWGMEIKSSA-N
Molecular Weight 314.469 g/mol
SMILES C1(\C=C\C(=C\C=C\C=C\C(=O)OCC)C)=C(CCCC1(C)C)C
SPLASH splash10-03xr-2409000000-413855ffe8d0e6ecea53
Source of Spectrum F-55-15086-11
Wiley ID 840234