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5-Nitro-3-p-tolyl-1H-[1,2,4]triazole
SpectraBase Compound ID BkHjDsHNqRD
InChI InChI=1S/C9H8N4O2/c1-6-2-4-7(5-3-6)8-10-9(12-11-8)13(14)15/h2-5H,1H3,(H,10,11,12)
InChIKey JOBRTPNCKIQMBL-UHFFFAOYSA-N
Mol Weight 204.19 g/mol
Molecular Formula C9H8N4O2
Exact Mass 204.064726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KKg2de6joPD
Name 3-(4-methylphenyl)-5-nitro-1H-1,2,4-triazole
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/C9H8N4O2/c1-6-2-4-7(5-3-6)8-10-9(12-11-8)13(14)15/h2-5H,1H3,(H,10,11,12)
InChIKey JOBRTPNCKIQMBL-UHFFFAOYSA-N
NMR Offset 17.046
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_1439
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: ZI/6050772; Labnumber: LP-31/102; IOH_ID: IOH-001440
Temperature 323 °C