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4H-1,2,4-triazole-3-thiol, 4-methyl-5-(3-nitrophenyl)-

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4H-1,2,4-triazole-3-thiol, 4-methyl-5-(3-nitrophenyl)-
SpectraBase Compound ID 8c03ZFuO27r
InChI InChI=1S/C9H8N4O2S/c1-12-8(10-11-9(12)16)6-3-2-4-7(5-6)13(14)15/h2-5H,1H3,(H,11,16)
InChIKey CLCZRCKREKMEIK-UHFFFAOYSA-N
Mol Weight 236.25 g/mol
Molecular Formula C9H8N4O2S
Exact Mass 236.036797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J4yq5aaM0Q9
Name 4H-1,2,4-triazole-3-thiol, 4-methyl-5-(3-nitrophenyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C9H8N4O2S/c1-12-8(10-11-9(12)16)6-3-2-4-7(5-6)13(14)15/h2-5H,1H3,(H,11,16)
InChIKey CLCZRCKREKMEIK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1445
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: NMR/9290089; Labnumber: LP-2191075
Temperature 303 °C