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1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid

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

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
SpectraBase Compound ID IxkLdxrSs5t
InChI InChI=1S/C11H8N6O3/c12-9-10(15-20-14-9)17-8(6-4-2-1-3-5-6)7(11(18)19)13-16-17/h1-5H,(H2,12,14)(H,18,19)
InChIKey KHLKPBNYKKVIAM-UHFFFAOYSA-N
Mol Weight 272.22 g/mol
Molecular Formula C11H8N6O3
Exact Mass 272.065788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJD53S8xdJR
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-
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/C11H8N6O3/c12-9-10(15-20-14-9)17-8(6-4-2-1-3-5-6)7(11(18)19)13-16-17/h1-5H,(H2,12,14)(H,18,19)
InChIKey KHLKPBNYKKVIAM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7830
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/001944; IOH_ID: IOH-014835