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9-Demethylretinol acetate

View entire compound with spectra: 1 MS (GC)

9-Demethylretinol acetate
SpectraBase Compound ID 63vzZTwvqny
InChI InChI=1S/C21H30O2/c1-17(14-16-23-19(3)22)11-8-6-7-9-13-20-18(2)12-10-15-21(20,4)5/h6-9,11,13-14H,10,12,15-16H2,1-5H3/b7-6+,11-8+,13-9+,17-14+
InChIKey BQCDKUVHBCMOKW-NBMZYHHPSA-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 L5pp8nBhsgZ
Name 9-Demethylretinol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-17(14-16-23-19(3)22)11-8-6-7-9-13-20-18(2)12-10-15-21(20,4)5/h6-9,11,13-14H,10,12,15-16H2,1-5H3/b7-6+,11-8+,13-9+,17-14+
InChIKey BQCDKUVHBCMOKW-NBMZYHHPSA-N
Molecular Weight 314.469 g/mol
SMILES C1(=C(CCCC1(C)C)C)\C=C\C=C\C=C\C(=C\COC(=O)C)C
SPLASH splash10-0006-9400000000-83634baee2c35b31905c
Source of Spectrum AC-134-945-21
Synonyms (1E,3E,5E,7E)-2-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5,7-octatetraenyl propionate Acetic acid (2E,4E,6E,8E)-3-methyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenyl ester Methyl 8-(2',6',6'-trimethylcyclohex-1'-enyl)-2-methylocta-1,3,5,7-tetraenyl acetate
Wiley ID 812574