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9-Demethylretinol

View entire compound with spectra: 1 MS (GC)

9-Demethylretinol
SpectraBase Compound ID C1VbcgKbmqF
InChI InChI=1S/C19H28O/c1-16(13-15-20)10-7-5-6-8-12-18-17(2)11-9-14-19(18,3)4/h5-8,10,12-13,20H,9,11,14-15H2,1-4H3/b6-5+,10-7+,12-8+,16-13+
InChIKey HUBLVMRMZMOZNU-NLJFJRBKSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQderY3q2Pg
Name 9-Demethylretinol
Alternate Name(s) (2E,4E,6E,8E)-3-methyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol (5S,6S)-9-Demethyl-7,8-dihydroretinal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O
InChI InChI=1S/C19H28O/c1-16(13-15-20)10-7-5-6-8-12-18-17(2)11-9-14-19(18,3)4/h5-8,10,12-13,20H,9,11,14-15H2,1-4H3/b6-5+,10-7+,12-8+,16-13+
InChIKey HUBLVMRMZMOZNU-NLJFJRBKSA-N
Molecular Weight 272.432 g/mol
SMILES OC\C=C\(\C=C\C=C\C=C\C1=C(CCCC1(C)C)C)C
SPLASH splash10-0a4i-9700000000-c8b9cad96313a4b59577
Source of Spectrum F-51-2448-7
Wiley ID 791245