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Benzenebutanoic acid, .beta.-(4-pentylcyclohexyl)-, ethyl ester, trans-
SpectraBase Compound ID 5mYNVdrg7GB
InChI InChI=1S/C23H36O2/c1-3-5-7-10-19-13-15-21(16-14-19)22(18-23(24)25-4-2)17-20-11-8-6-9-12-20/h6,8-9,11-12,19,21-22H,3-5,7,10,13-18H2,1-2H3
InChIKey UKPXQLIQFBYTGW-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LSFUW1Ylhe
Name Benzenebutanoic acid, .beta.-(4-pentylcyclohexyl)-, ethyl ester, trans-
Alternate Name(s) Ethyl 3-(4-pentylcyclohexyl)-4-phenylbutanoate Ethyl 3-(trans-4-pentylcyclohexyl)-4-phenylbutyrate
CAS Registry Number 83787-94-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-3-5-7-10-19-13-15-21(16-14-19)22(18-23(24)25-4-2)17-20-11-8-6-9-12-20/h6,8-9,11-12,19,21-22H,3-5,7,10,13-18H2,1-2H3
InChIKey UKPXQLIQFBYTGW-UHFFFAOYSA-N
Molecular Weight 344.539 g/mol
SMILES C(CC(=O)OCC)(C1CCC(CC1)CCCCC)Cc1ccccc1
SPLASH splash10-0pbc-4690000000-a3200dfc39eb20afbff0
Source of Spectrum H-65-1329-0
Wiley ID 1338341