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3-Butyryl-4-hexylamino-6,6-dimethyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester
SpectraBase Compound ID 5a1tkByUp4e
InChI InChI=1S/C20H33NO4/c1-6-8-9-10-12-21-14-13-20(3,4)17(19(24)25-5)18(23)16(14)15(22)11-7-2/h17,21H,6-13H2,1-5H3
InChIKey WNVVTARKDGQMJV-UHFFFAOYSA-N
Mol Weight 351.5 g/mol
Molecular Formula C20H33NO4
Exact Mass 351.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ea7NNxaxo8m
Name 3-Butyryl-4-hexylamino-6,6-dimethyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester
Alternate Name(s) 3-Butyryl-4-(hexylamino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester 4-(hexylamino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester Methyl 3-butanoyl-4-(hexylamino)-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Methyl 3-butanoyl-4-(hexylamino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate Methyl 3-butyryl-4-(hexylamino)-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate
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Formula C20H33NO4
InChI InChI=1S/C20H33NO4/c1-6-8-9-10-12-21-14-13-20(3,4)17(19(24)25-5)18(23)16(14)15(22)11-7-2/h17,21H,6-13H2,1-5H3
InChIKey WNVVTARKDGQMJV-UHFFFAOYSA-N
Molecular Weight 351.487 g/mol
SMILES N(C1=C(C(C(C(=O)OC)C(C1)(C)C)=O)C(=O)CCC)CCCCCC
SPLASH splash10-00l6-9531000000-c9db8beb7d718407fde8
Wiley ID 1463831