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Butanoic acid, 4-(5-methoxybenzimidazol-2-ylthio)-3-oxo-, ethyl ester
SpectraBase Compound ID 1fNhMYZNGwm
InChI InChI=1S/C14H16N2O4S/c1-3-20-13(18)6-9(17)8-21-14-15-11-5-4-10(19-2)7-12(11)16-14/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)
InChIKey IMNNKYOAVIRAPZ-UHFFFAOYSA-N
Mol Weight 308.35 g/mol
Molecular Formula C14H16N2O4S
Exact Mass 308.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7V7RJZKWGJQ
Name Butanoic acid, 4-(5-methoxybenzimidazol-2-ylthio)-3-oxo-, ethyl ester
Alternate Name(s) 3-keto-4-[(6-methoxy-1H-benzimidazol-2-yl)thio]butyric acid ethyl ester 4-[(6-methoxy-1H-benzimidazol-2-yl)thio]-3-oxobutanoic acid ethyl ester Ethyl 4-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate Ethyl 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-butanoate Ethyl 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoate
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Formula C14H16N2O4S
InChI InChI=1S/C14H16N2O4S/c1-3-20-13(18)6-9(17)8-21-14-15-11-5-4-10(19-2)7-12(11)16-14/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)
InChIKey IMNNKYOAVIRAPZ-UHFFFAOYSA-N
Molecular Weight 308.352 g/mol
SMILES [nH]1c(nc2cc(ccc12)OC)SCC(CC(OCC)=O)=O
SPLASH splash10-0006-6910000000-2e476d261d1e8e56c4a2
Source of Spectrum AD-0-2532-0
Wiley ID 1431879