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(E)-5-[(1S,2S)-2-hydroxy-1-methyl-6-oxocyclohexyl]-2-pentenoic acid methyl ester
SpectraBase Compound ID GHcGTiP17xB
InChI InChI=1S/C13H20O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8,10,14H,4-7,9H2,1-2H3/b8-3+/t10-,13-/m0/s1
InChIKey FPVCXPDQRBWYOP-ANUZDROFSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpRaeJ2O478
Name (E)-5-[(1S,2S)-2-hydroxy-1-methyl-6-oxocyclohexyl]-2-pentenoic acid methyl ester
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Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8,10,14H,4-7,9H2,1-2H3/b8-3+/t10-,13-/m0/s1
InChIKey FPVCXPDQRBWYOP-ANUZDROFSA-N
Molecular Weight 240.299 g/mol
SMILES O[C@@]1([C@@](C(=O)CCC1)(CC\C=C\C(=O)OC)C)[H]
SPLASH splash10-0fb9-2900000000-f22b000b36ac7df57539
Source of Spectrum QC-17-1659-6
Synonyms (E)-5-[(1S,2S)-2-hydroxy-6-keto-1-methyl-cyclohexyl]pent-2-enoic acid methyl ester Methyl (E)-5-[(1S,2S)-1-methyl-2-oxidanyl-6-oxidanylidene-cyclohexyl]pent-2-enoate Methyl (E)-5-[(1S,2S)-2-hydroxy-1-methyl-6-oxo-cyclohexyl]pent-2-enoate
Wiley ID 1638286