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[1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 3-oxo-4''-propyl-, methyl ester, [1.alpha.[trans(trans)],4.alpha.]-
SpectraBase Compound ID 69OrFoP9jRa
InChI InChI=1S/C23H38O3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(22(24)15-20)23(25)26-2/h16-21H,3-15H2,1-2H3/t16?,17?,18-,19?,20-,21-/m1/s1
InChIKey PTWVECLDSRMXAP-ZKTRBLJDSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6HzhbK4cxO
Name [1,1':4',1''-Tercyclohexane]-4-carboxylic acid, 3-oxo-4''-propyl-, methyl ester, [1.alpha.[trans(trans)],4.alpha.]-
CAS Registry Number 101630-57-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O3
InChI InChI=1S/C23H38O3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(22(24)15-20)23(25)26-2/h16-21H,3-15H2,1-2H3/t16?,17?,18-,19?,20-,21-/m1/s1
InChIKey PTWVECLDSRMXAP-ZKTRBLJDSA-N
Molecular Weight 362.554 g/mol
SMILES [C@]1(C(C[C@@](CC1)(C1CCC(CC1)C1CCC(CC1)CCC)[H])=O)(C(=O)OC)[H]
SPLASH splash10-03do-0009000000-152ecaa3b09c470e256a
Source of Spectrum K-119-395-12
Synonyms 2-oxo-trans-4-[trans-4(trans-4-propylcyclohexyl)cyclohexyl]cyclohexancarbonsaure-methylester methyl (1R,4R)-2-oxo-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate [1,1':4',1''-tercyclohexane]-4-carboxylic acid, 3-oxo-4''-propyl-, methyl ester, [1.alpha.[trans(trans)],4.alpha.]-
Wiley ID 1349983