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4-(5,5-Dimethyl-6-oxocyclohex-1-enyl)-3-iodomethylbutyric acid, methyl ester
SpectraBase Compound ID AYhsuFUIuEc
InChI InChI=1S/C14H21IO3/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10H,4,6-9H2,1-3H3
InChIKey NKTZVTLYLOPSSM-UHFFFAOYSA-N
Mol Weight 364.22 g/mol
Molecular Formula C14H21IO3
Exact Mass 364.05354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRFOLoh34ay
Name 4-(5,5-Dimethyl-6-oxocyclohex-1-enyl)-3-iodomethylbutyric acid, methyl ester
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Formula C14H21IO3
InChI InChI=1S/C14H21IO3/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10H,4,6-9H2,1-3H3
InChIKey NKTZVTLYLOPSSM-UHFFFAOYSA-N
Molecular Weight 364.223 g/mol
SMILES C1(=O)C(=CCCC1(C)C)CC(CC(=O)OC)CI
SPLASH splash10-004u-9730000000-a5755541c0846ad4b276
Synonyms 3-(iodomethyl)-4-(6-keto-5,5-dimethyl-cyclohexen-1-yl)butyric acid methyl ester 3-[(5,5-dimethyl-6-oxo-1-cyclohexenyl)methyl]-4-iodobutanoic acid methyl ester Methyl 3-[(5,5-dimethyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-4-iodanyl-butanoate Methyl 3-[(5,5-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-4-iodo-butanoate Methyl 4-(5,5-dimethyl-6-oxo-1-cyclohexen-1-yl)-3-(iodomethyl)butanoate
Wiley ID 1475625