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4-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
SpectraBase Compound ID 8FVXZJtkktL
InChI InChI=1S/C12H12N2O3S/c1-7-2-3-8-9(6-7)18-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKey HLVXGRVIOASREC-UHFFFAOYSA-N
Mol Weight 264.3 g/mol
Molecular Formula C12H12N2O3S
Exact Mass 264.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Bc3gWO4kC
Name 4-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
CAS Registry Number 261505-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3S
InChI InChI=1S/C12H12N2O3S/c1-7-2-3-8-9(6-7)18-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKey HLVXGRVIOASREC-UHFFFAOYSA-N
Molecular Weight 264.299 g/mol
SMILES N(C(CCC(=O)O)=O)c1sc2cc(ccc2n1)C
SPLASH splash10-03di-4910000000-07088524583755d5cc9c
Source of Spectrum AD-0-2532-0
Synonyms 4-keto-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butyric acid 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid Butanedioic acid, monoamide, N-(6-methyl-2-benzothiazolyl)-
Wiley ID 1425139