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[1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4-methyl-3-oxo-4''-propyl-, ethyl 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-, ethyl ester, [1.alpha.[trans(trans)],4.alpha.]-
SpectraBase Compound ID 1m4r6i6jgk9
InChI InChI=1S/C25H42O3/c1-4-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-15-16-25(3,23(26)17-22)24(27)28-5-2/h18-22H,4-17H2,1-3H3/t18?,19?,20?,21?,22-,25+/m0/s1
InChIKey VMTAGFLUGDQOTJ-NNXHTGMHSA-N
Mol Weight 390.6 g/mol
Molecular Formula C25H42O3
Exact Mass 390.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SOug2Llrwc
Name [1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 4-methyl-3-oxo-4''-propyl-, ethyl ester, [1.alpha.[trans(trans)],4.alpha.]-
CAS Registry Number 101693-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O3
InChI InChI=1S/C25H42O3/c1-4-6-18-7-9-19(10-8-18)20-11-13-21(14-12-20)22-15-16-25(3,23(26)17-22)24(27)28-5-2/h18-22H,4-17H2,1-3H3/t18?,19?,20?,21?,22-,25+/m0/s1
InChIKey VMTAGFLUGDQOTJ-NNXHTGMHSA-N
Molecular Weight 390.608 g/mol
SMILES [C@]1(C(C[C@](CC1)(C1CCC(CC1)C1CCC(CC1)CCC)[H])=O)(C(=O)OCC)C
SPLASH splash10-022d-0009000000-3b9aa9b2172d2f1c0c2d
Source of Spectrum K-119-399-24
Synonyms Ethyl (1R,4S)-1-methyl-2-oxo-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate Ethyl 1-methyl-2-oxo-cis-4-[trans-4-propylcyclohexyl)cyclohexyl]-r-1-cyclohexane carboxylate [1,1':4',1''-tercyclohexane]-4-carboxylic acid, 4-methyl-3-oxo-4''-propyl-, ethyl ester, [1.alpha.[trans(trans)],4.alpha.]-
Wiley ID 1365144