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4H-1,2,4-triazole, 4-methyl-3-[(4-nitrophenyl)thio]-
SpectraBase Compound ID 8ln3Et9yYmc
InChI InChI=1S/C9H8N4O2S/c1-12-6-10-11-9(12)16-8-4-2-7(3-5-8)13(14)15/h2-6H,1H3
InChIKey WTRLSMZHBYXIEA-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 AKs4G0lcY1l
Name 4H-1,2,4-triazole, 4-methyl-3-[(4-nitrophenyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.036796686 u
Formula C9H8N4O2S
InChI InChI=1S/C9H8N4O2S/c1-12-6-10-11-9(12)16-8-4-2-7(3-5-8)13(14)15/h2-6H,1H3
InChIKey WTRLSMZHBYXIEA-UHFFFAOYSA-N
Molecular Weight 236.249 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12506
Solvent DMSO-d6
Source Vendor ID: NMR/10272457; Lab Info: KOT; Lab Number: KOT-RRR0084