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2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (all-E)-

View entire compound with spectra: 3 MS (GC)

2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (all-E)-
SpectraBase Compound ID 6DncrEIaeBL
InChI InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+
InChIKey IHUNBGSDBOWDMA-AQFIFDHZSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fNjjnIj3m4
Name ACITRETIN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+
InChIKey IHUNBGSDBOWDMA-AQFIFDHZSA-N
Molecular Weight 326.1875
SMILES OC(=O)\C=C/(C)\C=C\C=C/(C)\C=C\c1c(cc(OC)c(c1C)C)C
SPLASH splash10-0udi-3941000000-46a7e5d0a4b1458a15d0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany