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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)

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SpectraBase Spectrum ID LaDPjXB8u2j
Name Ethyl 9-Desmethylretinoate
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 splash10-03di-1339000000-c48efecada87ec055227
Source of Spectrum F-55-15087-11
Synonyms Ethyl 9-Demethylretinoate Ethyl (2E,4E,6E,8E)-3-methyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate
Wiley ID 840232