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

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

1-(4-Amino-1,2,5-oxadiazol-3-yl)-4-methyl-1H-1,2,3-triazole-5-carboxylic acid
SpectraBase Compound ID H8pnbCz31dY
InChI InChI=1S/C6H6N6O3/c1-2-3(6(13)14)12(11-8-2)5-4(7)9-15-10-5/h1H3,(H2,7,9)(H,13,14)
InChIKey PUHAXUPONHAKGH-UHFFFAOYSA-N
Mol Weight 210.15 g/mol
Molecular Formula C6H6N6O3
Exact Mass 210.050138 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BKzjaWmJsPQ
Name 1H-1,2,3-triazole-5-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-4-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.050138074 u
Formula C6H6N6O3
InChI InChI=1S/C6H6N6O3/c1-2-3(6(13)14)12(11-8-2)5-4(7)9-15-10-5/h1H3,(H2,7,9)(H,13,14)
InChIKey PUHAXUPONHAKGH-UHFFFAOYSA-N
Molecular Weight 210.153 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7553
Solvent DMSO-d6
Source Vendor ID: NMR/9322186; Lab Info: VUR; Lab Number: VUR-0000961