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[1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4-methyl-3-oxo-4''-propyl-, methyl ester, [1.alpha.[trans(trans)],4.alpha.]-

View entire compound with spectra: 1 MS (GC)

[1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4-methyl-3-oxo-4''-propyl-, methyl ester, [1.alpha.[trans(trans)],4.alpha.]-
SpectraBase Compound ID 34WPn193BxA
InChI InChI=1S/C24H40O3/c1-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-24(2,22(25)16-21)23(26)27-3/h17-21H,4-16H2,1-3H3/t17-,18-,19?,20?,21-,24+/m0/s1
InChIKey DRGVEZGNJTVPHZ-HFPWUJOYSA-N
Mol Weight 376.6 g/mol
Molecular Formula C24H40O3
Exact Mass 376.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WvCeQiTeeB
Name [1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4-methyl-3-oxo-4''-propyl-, methyl ester, [1.alpha.[trans(trans)],4.alpha.]-
CAS Registry Number 101693-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O3
InChI InChI=1S/C24H40O3/c1-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-24(2,22(25)16-21)23(26)27-3/h17-21H,4-16H2,1-3H3/t17-,18-,19?,20?,21-,24+/m0/s1
InChIKey DRGVEZGNJTVPHZ-HFPWUJOYSA-N
Molecular Weight 376.581 g/mol
SMILES [C@]1(C(C[C@](CC1)(C1CCC(CC1)[C@]1(CC[C@@](CC1)(CCC)[H])[H])[H])=O)(C(=O)OC)C
SPLASH splash10-0a7i-0309000000-92d77c838a9758f9480b
Source of Spectrum K-119-399-23
Synonyms Methyl (1R,4S)-1-methyl-2-oxo-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate Methyl 1-methyl-2-oxo-cis-4[trans-4-(trans-4-propylcyclohexyl)cyclohexyl]-r-1-cyclohexane carboxylate [1,1':4',1''-tercyclohexane]-4-carboxylic acid, 4-methyl-3-oxo-4''-propyl-, methyl ester, [1.alpha.[trans(trans)],4.alpha.]-
Wiley ID 1358046