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3-(Acetylamino)-4-methylthiophene-2-carboxylic acid
SpectraBase Compound ID EXwzYuX0pHH
InChI InChI=1S/C8H9NO3S/c1-4-3-13-7(8(11)12)6(4)9-5(2)10/h3H,1-2H3,(H,9,10)(H,11,12)
InChIKey CGHITHWUISTIIY-UHFFFAOYSA-N
Mol Weight 199.22 g/mol
Molecular Formula C8H9NO3S
Exact Mass 199.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21s9GNqM6F9
Name 3-(Acetylamino)-4-methylthiophene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3S
InChI InChI=1S/C8H9NO3S/c1-4-3-13-7(8(11)12)6(4)9-5(2)10/h3H,1-2H3,(H,9,10)(H,11,12)
InChIKey CGHITHWUISTIIY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201000084
Molecular Weight 199.224 g/mol
SMILES N(C(=O)C)c1c(C(=O)O)scc1C
SPLASH splash10-0bua-0900000000-38ed8a071267dc6bebb4
Source of Spectrum CMC-5-938-27
Synonyms 3-Acetamido-4-methylthiophene-2-carboxylic acid 3-Acetamido-4-methyl-2-thiophenecarboxylic acid 3-Acetamido-4-methyl-thiophene-2-carboxylic acid
Wiley ID 1771700