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Cyclohexaneacetic acid, 4-ethenyl-1-(methoxycarbonyl)-4-methyl-5-(1-methylethenyl)-2-oxo-, methyl ester, (1.alpha.,4.beta.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 1lUg6uZcPUi
InChI InChI=1S/C17H24O5/c1-7-16(4)9-13(18)17(15(20)22-6,10-14(19)21-5)8-12(16)11(2)3/h7,12H,1-2,8-10H2,3-6H3/t12-,16-,17-/m0/s1
InChIKey FPRUKCJNSOJDQG-ZLIFDBKOSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Im5UHHbWT46
Name Cyclohexaneacetic acid, 4-ethenyl-1-(methoxycarbonyl)-4-methyl-5-(1-methylethenyl)-2-oxo-, methyl ester, (1.alpha.,4.beta.,5.alpha.)-(.+-.)-
CAS Registry Number 121401-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-7-16(4)9-13(18)17(15(20)22-6,10-14(19)21-5)8-12(16)11(2)3/h7,12H,1-2,8-10H2,3-6H3/t12-,16-,17-/m0/s1
InChIKey FPRUKCJNSOJDQG-ZLIFDBKOSA-N
Molecular Weight 308.374 g/mol
SMILES [C@]1(C(C[C@@]([C@@](C1)(C(=C)C)[H])(C=C)C)=O)(C(=O)OC)CC(=O)OC
SPLASH splash10-08fr-7090000000-779216702a25373feb22
Source of Spectrum F-44-1384-3
Synonyms 1-(methoxycarbonylmethyl)-1-hydroxy-2-methoxycarbonyl-4-(1-methylethenyl)-5-methyl-5-ethenyl-cyclohexane Methyl (1S,4R,5S)-5-isopropenyl-1-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-4-vinylcyclohexanecarboxylate
Wiley ID 1309790