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3-[(4-Nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

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3-[(4-Nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID D5XhoZ9dfso
InChI InChI=1S/C9H8N4O2S/c14-13(15)8-3-1-7(2-4-8)5-16-9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)
InChIKey GAPVDAUIUSONCC-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 3jUQ61Ddm8i
Name 4-nitrobenzyl 1H-1,2,4-triazol-5-yl sulfide
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/C9H8N4O2S/c14-13(15)8-3-1-7(2-4-8)5-16-9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)
InChIKey GAPVDAUIUSONCC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9350
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: D53516; Labnumber: TOLST-0297; SBI_ID: SBI-009353
Synonyms 5-[(4-nitrobenzyl)sulfanyl]-1H-1,2,4-triazole
Temperature 308 °C