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2-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-2-(3-methyl-7-oxo-1,3-octadienyl)-4-oxo-, methyl ester, (+)-
SpectraBase Compound ID GMzlqDKC5GD
InChI InChI=1S/C19H26O4/c1-13(7-6-8-14(2)20)9-10-16-15(3)17(21)11-12-19(16,4)18(22)23-5/h7,9-10H,6,8,11-12H2,1-5H3/b10-9+,13-7+
InChIKey IBEKLXNZXQHTGY-GSSAJISUSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IjhSM2qEgu
Name 2-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-2-(3-methyl-7-oxo-1,3-octadienyl)-4-oxo-, methyl ester, (+)-
CAS Registry Number 16981-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-13(7-6-8-14(2)20)9-10-16-15(3)17(21)11-12-19(16,4)18(22)23-5/h7,9-10H,6,8,11-12H2,1-5H3/b10-9+,13-7+
InChIKey IBEKLXNZXQHTGY-GSSAJISUSA-N
Molecular Weight 318.413 g/mol
SMILES COC(=O)C1(C)CCC(=O)C(C)=C1\C=C\C(C)=C\CCC(C)=O
SPLASH splash10-0006-9000000000-8c0128a921901ccde33e
Source of Spectrum JX-2015-6-1138
Synonyms Methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxo-1,3-octadienyl]-4-oxo-2-cyclohexene-1-carboxylate 1,3-Dimethyl-2-[(1E,3E)-3-methyl-7-oxoocta-1,3-dienyl]-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester Methyl trisporate B 4-Keto-2-[(1E,3E)-7-keto-3-methyl-octa-1,3-dienyl]-1,3-dimethyl-cyclohex-2-ene-1-carboxylic acid methyl ester Methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxidanylidene-octa-1,3-dienyl]-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxo-octa-1,3-dienyl]-4-oxo-cyclohex-2-ene-1-carboxylate Methyl 1,3-dimethyl-2-((1E,3E)-3-methyl-7-oxoocta-1,3-dien-1-yl)-4-oxocyclohex-2-enecarboxylate Methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxoocta-1,3-dienyl]-4-oxocyclohex-2-ene-1-carboxylate
Wiley ID 1727974