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3-Amino-4-methyl-5-phenylthiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID E3tB769EYPo
InChI InChI=1S/C13H13NO2S/c1-8-10(14)12(13(15)16-2)17-11(8)9-6-4-3-5-7-9/h3-7H,14H2,1-2H3
InChIKey OOMHXGLUIHHLOC-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CubCwFXMDVw
Name 3-Amino-4-methyl-5-phenylthiophene-2-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-8-10(14)12(13(15)16-2)17-11(8)9-6-4-3-5-7-9/h3-7H,14H2,1-2H3
InChIKey OOMHXGLUIHHLOC-UHFFFAOYSA-N
Molecular Weight 247.312 g/mol
SMILES Nc1c(sc(-c2ccccc2)c1C)C(=O)OC
SPLASH splash10-00di-0930000000-826c4cc3b4e09cbdae2d
Source of Spectrum SO-0-1098-10
Synonyms 3-amino-4-methyl-5-phenyl-2-thiophenecarboxylic acid methyl ester methyl 3-amino-4-methyl-5-phenyl-thiophene-2-carboxylate methyl 3-azanyl-4-methyl-5-phenyl-thiophene-2-carboxylate methyl 3-amino-4-methyl-5-phenylthiophene-2-carboxylate
Wiley ID 865047