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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HIiRrFAeyTd
Name benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-yl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_8205
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZERO/006074; IOH_ID: IOH-015210
Temperature 297 °C