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2-{[(3-cyano-4,5-dimethyl-2-thienyl)amino]carbonyl}benzoic acid
SpectraBase Compound ID CZJZWsTrO4F
InChI InChI=1S/C15H12N2O3S/c1-8-9(2)21-14(12(8)7-16)17-13(18)10-5-3-4-6-11(10)15(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKey KDDSFSOYTBBKRM-UHFFFAOYSA-N
Mol Weight 300.33 g/mol
Molecular Formula C15H12N2O3S
Exact Mass 300.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xdbRdVQ0CL
Name 2-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]benzoic acid
Alternate Name(s) 2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]benzoic acid 2-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]benzoic acid
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Formula C15H12N2O3S
InChI InChI=1S/C15H12N2O3S/c1-8-9(2)21-14(12(8)7-16)17-13(18)10-5-3-4-6-11(10)15(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKey KDDSFSOYTBBKRM-UHFFFAOYSA-N
Molecular Weight 300.332 g/mol
SMILES N(c1c(c(C)c(s1)C)C#N)C(c1c(C(=O)O)cccc1)=O
SPLASH splash10-0ufr-9310000000-59c88407e3c5943a79b7
Wiley ID 1451355