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1H-pyrazole-3-carboxylic acid, 1-[[(4-amino-4H-1,2,4-triazol-3-yl)thio]methyl]-, methyl ester
SpectraBase Compound ID HFPo9xSGXbj
InChI InChI=1S/C8H10N6O2S/c1-16-7(15)6-2-3-13(12-6)5-17-8-11-10-4-14(8)9/h2-4H,5,9H2,1H3
InChIKey PGHXAGDUDQAEPA-UHFFFAOYSA-N
Mol Weight 254.27 g/mol
Molecular Formula C8H10N6O2S
Exact Mass 254.058595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B91yr1z7yic
Name 1H-pyrazole-3-carboxylic acid, 1-[[(4-amino-4H-1,2,4-triazol-3-yl)thio]methyl]-, methyl ester
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/C8H10N6O2S/c1-16-7(15)6-2-3-13(12-6)5-17-8-11-10-4-14(8)9/h2-4H,5,9H2,1H3
InChIKey PGHXAGDUDQAEPA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6750
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: R00385; Labnumber: RIBS-10385