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1-[2-(4-Butylcyclohexyl)ethyl]-4-(4-pentylcyclohexyl)benzene
SpectraBase Compound ID ErPehvtwFh
InChI InChI=1S/C29H48/c1-3-5-7-9-25-16-20-28(21-17-25)29-22-18-27(19-23-29)15-14-26-12-10-24(11-13-26)8-6-4-2/h18-19,22-26,28H,3-17,20-21H2,1-2H3
InChIKey PAOGJHSCNSVUMN-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C29H48
Exact Mass 396.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 397Kxj8At55
Name 1-[2-(4-Butylcyclohexyl)ethyl]-4-(4-pentylcyclohexyl)benzene
CAS Registry Number 85872-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48
InChI InChI=1S/C29H48/c1-3-5-7-9-25-16-20-28(21-17-25)29-22-18-27(19-23-29)15-14-26-12-10-24(11-13-26)8-6-4-2/h18-19,22-26,28H,3-17,20-21H2,1-2H3
InChIKey PAOGJHSCNSVUMN-UHFFFAOYSA-N
Molecular Weight 396.703 g/mol
SMILES C1C(CCC(CCc2ccc(C3CCC(CCCCC)CC3)cc2)C1)CCCC
SPLASH splash10-052f-9322000000-3e68d509508f10b6b0f8
Source of Spectrum O-25-551-13
Synonyms 1-(4-amylcyclohexyl)-4-[2-(4-butylcyclohexyl)ethyl]benzene Benzene, 1-[2-(4-butylcyclohexyl)ethyl]-4-(4-pentylcyclohexyl)-
Wiley ID 1367818