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[1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4''-propyl-, propyl ester, [trans[trans(trans)]]-
SpectraBase Compound ID E8fKXQvsgsY
InChI InChI=1S/C25H44O2/c1-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25(26)27-18-4-2/h19-24H,3-18H2,1-2H3/t19-,20?,21?,22?,23?,24-
InChIKey SRXSBKWHMMGBAH-ILNACBSJSA-N
Mol Weight 376.6 g/mol
Molecular Formula C25H44O2
Exact Mass 376.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Gox6YqFwxH
Name [1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4''-propyl-, propyl ester, [trans[trans(trans)]]-
CAS Registry Number 101630-61-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44O2
InChI InChI=1S/C25H44O2/c1-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25(26)27-18-4-2/h19-24H,3-18H2,1-2H3/t19-,20?,21?,22?,23?,24-
InChIKey SRXSBKWHMMGBAH-ILNACBSJSA-N
Molecular Weight 376.625 g/mol
SMILES C(C1CCC(CC1)C1CCC(CC1)C1CCC(CC1)CCC)(=O)OCCC
SPLASH splash10-004i-0009000000-4a997765d71487e30560
Source of Spectrum K-119-398-18
Synonyms Proopyl trans-4-[trans-4-(trans-4-propylcyclohexyl)cyclohexyl]cyclohexane carboxylate propyl 4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate [1,1':4',1''-tercyclohexane]-4-carboxylic acid, 4''-propyl-, propyl ester, [trans[trans(trans)]]-
Wiley ID 1358072