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(Z)-Ethyl-2-methyl-5-((1S,2S)-2,4,4-trimethyl-6-oxo-1-cyclohexyl)-2-pentenoate
SpectraBase Compound ID J8FA74BTE9c
InChI InChI=1S/C17H28O3/c1-6-20-16(19)12(2)8-7-9-14-13(3)10-17(4,5)11-15(14)18/h8,13-14H,6-7,9-11H2,1-5H3/b12-8-/t13-,14-/m0/s1
InChIKey WGEMZJAFVWQREN-KGKULNKVSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 926odDqCoSH
Name (Z)-Ethyl-2-methyl-5-((1S,2S)-2,4,4-trimethyl-6-oxo-1-cyclohexyl)-2-pentenoate
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Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-6-20-16(19)12(2)8-7-9-14-13(3)10-17(4,5)11-15(14)18/h8,13-14H,6-7,9-11H2,1-5H3/b12-8-/t13-,14-/m0/s1
InChIKey WGEMZJAFVWQREN-KGKULNKVSA-N
Molecular Weight 280.408 g/mol
SMILES C1([C@]([C@@](C)(CC(C1)(C)C)[H])(CC\C=C/(C(=O)OCC)C)[H])=O
SPLASH splash10-004i-5920000000-c67493bd0a30589d406f
Source of Spectrum EMC-41-910-20
Synonyms (Z)-Ethyl-2-methyl-5-(2,4,4-trimethyl-6-oxo-1-cyclohexyl)-2-pentenoate (Z)-ethyl 2-methyl-5-((1S,2S)-2,4,4-trimethyl-6-oxocyclohexyl)pent-2-enoate (Z)-2-methyl-5-[(1S,2S)-2,4,4-trimethyl-6-oxocyclohexyl]-2-pentenoic acid ethyl ester Ethyl (Z)-2-methyl-5-[(1S,2S)-2,4,4-trimethyl-6-oxocyclohexyl]pent-2-enoate Ethyl (Z)-2-methyl-5-[(1S,2S)-2,4,4-trimethyl-6-oxo-cyclohexyl]pent-2-enoate Ethyl (Z)-2-methyl-5-[(1S,2S)-2,4,4-trimethyl-6-oxidanylidene-cyclohexyl]pent-2-enoate
Wiley ID 1735053