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3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile, O-acetyloxime
SpectraBase Compound ID GXwP4SKu6Dj
InChI InChI=1S/C12H12N2O2S2/c1-7(15)16-14-9-5-3-4-8-10(6-13)18-12(17-2)11(8)9/h3-5H2,1-2H3/b14-9+
InChIKey KGQLGVAHAYYCAW-NTEUORMPSA-N
Mol Weight 280.36 g/mol
Molecular Formula C12H12N2O2S2
Exact Mass 280.03402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XIu96mAz84
Name Acetic acid, (4,5,6,7-tetrahydro-1-cyano-3-methylthio-2-benzothiophen-5-ylideneamino) ester
Alternate Name(s) (4E)-4-[(Acetyloxy)imino]-3-(methylsulfanyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile Acetic acid [(E)-[1-cyano-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-ylidene]amino] ester [(E)-(1-cyano-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-ylidene)amino] acetate [(E)-(1-cyano-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-ylidene)amino] ethanoate
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Formula C12H12N2O2S2
InChI InChI=1S/C12H12N2O2S2/c1-7(15)16-14-9-5-3-4-8-10(6-13)18-12(17-2)11(8)9/h3-5H2,1-2H3/b14-9+
InChIKey KGQLGVAHAYYCAW-NTEUORMPSA-N
Molecular Weight 280.360 g/mol
SMILES c12c(sc(c2CCC\C1=N\OC(=O)C)C#N)SC
SPLASH splash10-0006-9640000000-c08a36e33445140ae818
Source of Spectrum AD-0-2532-0
Wiley ID 1429147