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[1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4''-propyl-, pentyl ester, [trans[trans(trans)]]-
SpectraBase Compound ID 1h6l08icc2m
InChI InChI=1S/C27H48O2/c1-3-5-6-20-29-27(28)26-18-16-25(17-19-26)24-14-12-23(13-15-24)22-10-8-21(7-4-2)9-11-22/h21-26H,3-20H2,1-2H3/t21-,22?,23?,24?,25?,26-
InChIKey FZIOISCMBOLWGA-XSHZVYIJSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfjMEIEBdBz
Name [1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4''-propyl-, pentyl ester, [trans[trans(trans)]]-
CAS Registry Number 101630-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-3-5-6-20-29-27(28)26-18-16-25(17-19-26)24-14-12-23(13-15-24)22-10-8-21(7-4-2)9-11-22/h21-26H,3-20H2,1-2H3/t21-,22?,23?,24?,25?,26-
InChIKey FZIOISCMBOLWGA-XSHZVYIJSA-N
Molecular Weight 404.679 g/mol
SMILES C(C1CCC(CC1)C1CCC(CC1)C1CCC(CC1)CCC)(=O)OCCCCC
SPLASH splash10-052b-0950000000-b049e424b31bd92f571e
Source of Spectrum K-119-398-20
Synonyms Pentyl 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate trans-4-[trans-4-(trans-4-propylcyclohexyl)cyclohexyl]cyclohexancarbonsaure-pentylester [1,1':4',1''-tercyclohexane]-4-carboxylic acid, 4''-propyl-, pentyl ester, [trans[trans(trans)]]-
Wiley ID 1371589