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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2xaoa5kusi
Name 3-[(4-Nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
CAS Registry Number 296272-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N4O2S
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
Molecular Weight 236.249 g/mol
SMILES [nH]1c(nnc1)SCc1ccc(cc1)N(=O)=O
SPLASH splash10-000i-9470000000-a5a2fa409d43fc9ce668
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazole, 3-(4-nitrobenzylthio)- 5-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole 5-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole 5-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole
Wiley ID 1420016