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(1S,2R)-1-ethenyl-2-[(3E)-hexa-3,5-dienyl]-4-oxo-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID HyacfFp1EtZ
InChI InChI=1S/C16H22O3/c1-4-6-7-8-9-13-12-14(17)10-11-16(13,5-2)15(18)19-3/h4-7,13H,1-2,8-12H2,3H3/b7-6+/t13-,16-/m1/s1
InChIKey YUPWYTRBCHHYSX-GTKVBAFNSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBjfEF0kJUj
Name (1S,2R)-1-ethenyl-2-[(3E)-hexa-3,5-dienyl]-4-oxo-1-cyclohexanecarboxylic acid methyl ester
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-4-6-7-8-9-13-12-14(17)10-11-16(13,5-2)15(18)19-3/h4-7,13H,1-2,8-12H2,3H3/b7-6+/t13-,16-/m1/s1
InChIKey YUPWYTRBCHHYSX-GTKVBAFNSA-N
Molecular Weight 262.349 g/mol
SMILES [C@@]1(C(=O)OC)([C@@](CC(CC1)=O)(CC\C=C\C=C)[H])C=C
SPLASH splash10-01ot-7090000000-bd5b6c3e8354c5dd0223
Source of Spectrum J-60-851-40
Synonyms (1S,2R)-2-[(3E)-hexa-3,5-dienyl]-4-keto-1-vinyl-cyclohexanecarboxylic acid methyl ester Methyl (1S,2R)-1-ethenyl-2-[(3E)-hexa-3,5-dienyl]-4-oxidanylidene-cyclohexane-1-carboxylate Methyl (1S,2R)-1-ethenyl-2-[(3E)-hexa-3,5-dienyl]-4-oxocyclohexane-1-carboxylate Methyl (1S,2R)-2-[(3E)-hexa-3,5-dienyl]-4-oxo-1-vinyl-cyclohexanecarboxylate
Wiley ID 1266194