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5-(1,3-Benzothiazol-2-ylamino)-5-oxopentanoic acid

View entire compound with spectra: 1 MS (GC)

5-(1,3-Benzothiazol-2-ylamino)-5-oxopentanoic acid
SpectraBase Compound ID 26ShPhKPd9g
InChI InChI=1S/C12H12N2O3S/c15-10(6-3-7-11(16)17)14-12-13-8-4-1-2-5-9(8)18-12/h1-2,4-5H,3,6-7H2,(H,16,17)(H,13,14,15)
InChIKey VWJNBVIMTRPISG-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 7w3kSqXqv25
Name 5-(1,3-Benzothiazol-2-ylamino)-5-oxopentanoic acid
CAS Registry Number 299937-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3S
InChI InChI=1S/C12H12N2O3S/c15-10(6-3-7-11(16)17)14-12-13-8-4-1-2-5-9(8)18-12/h1-2,4-5H,3,6-7H2,(H,16,17)(H,13,14,15)
InChIKey VWJNBVIMTRPISG-UHFFFAOYSA-N
Molecular Weight 264.299 g/mol
SMILES N(c1nc2ccccc2s1)C(CCCC(=O)O)=O
SPLASH splash10-0udi-3900000000-bffa1cd5cb8deb73db43
Synonyms 5-(1,3-benzothiazol-2-ylamino)-5-keto-valeric acid 5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoic acid Pentanedioic acid, monoamide, N-(2-benzothiazolyl)-
Wiley ID 1455650