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2,4-Pentadienoic acid, 5-phenyl-2-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-, methyl ester, (E,E,E)-
SpectraBase Compound ID C93vw8ys7hq
InChI InChI=1S/C23H28O2/c1-18-10-9-17-23(2,3)21(18)16-15-20(22(24)25-4)14-8-13-19-11-6-5-7-12-19/h5-8,11-16H,9-10,17H2,1-4H3/b13-8+,16-15+,20-14+
InChIKey IULUSQHYQFKBGX-CGMORBKNSA-N
Mol Weight 336.48 g/mol
Molecular Formula C23H28O2
Exact Mass 336.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43Aj14T2VwO
Name 2,4-Pentadienoic acid, 5-phenyl-2-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-, methyl ester, (E,E,E)-
Alternate Name(s) Methyl (2E,4E)-5-phenyl-2-[(E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-2,4-pentadienoate Methyl ester of (1E,3e/z,5E)-6-phenyl-1-(2',6',6'-trimethylcyclohexenyl)-1,3,5-hexatrien-3-carboxylic acid
CAS Registry Number 87162-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O2
InChI InChI=1S/C23H28O2/c1-18-10-9-17-23(2,3)21(18)16-15-20(22(24)25-4)14-8-13-19-11-6-5-7-12-19/h5-8,11-16H,9-10,17H2,1-4H3/b13-8+,16-15+,20-14+
InChIKey IULUSQHYQFKBGX-CGMORBKNSA-N
Molecular Weight 336.475 g/mol
SMILES C1(\C=C\C(C(=O)OC)=C/C=C/c2ccccc2)=C(CCCC1(C)C)C
SPLASH splash10-00kf-9401000000-cd45b68ef198be54e7e2
Source of Spectrum H-66-1164-0
Wiley ID 1332818