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4-(5-Amino-1,3,4-thiadiazol-2-yl)benzoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(5-Amino-1,3,4-thiadiazol-2-yl)benzoic acid
SpectraBase Compound ID Re9Wyg2VZO
InChI InChI=1S/C9H7N3O2S/c10-9-12-11-7(15-9)5-1-3-6(4-2-5)8(13)14/h1-4H,(H2,10,12)(H,13,14)
InChIKey LQHNMNCRCCSJQW-UHFFFAOYSA-N
Mol Weight 221.23 g/mol
Molecular Formula C9H7N3O2S
Exact Mass 221.025898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIAsKC4YsZy
Name 4-(5-Amino-1,3,4-thiadiazol-2-yl)benzoic acid
Alternate Name(s) 4-(5-azanyl-1,3,4-thiadiazol-2-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O2S
InChI InChI=1S/C9H7N3O2S/c10-9-12-11-7(15-9)5-1-3-6(4-2-5)8(13)14/h1-4H,(H2,10,12)(H,13,14)
InChIKey LQHNMNCRCCSJQW-UHFFFAOYSA-N
Molecular Weight 221.234 g/mol
SMILES OC(c1ccc(-c2sc(nn2)N)cc1)=O
SPLASH splash10-00di-9620000000-755dab17a42af35d47f4
Wiley ID 1511830