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1-Benzyl-5-methylsulfanyl-3-nitro-1H-[1,2,4]triazole

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1-Benzyl-5-methylsulfanyl-3-nitro-1H-[1,2,4]triazole
SpectraBase Compound ID EXzMiftRRKb
InChI InChI=1S/C10H10N4O2S/c1-17-10-11-9(14(15)16)12-13(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey UPKGGHMVZOXJTC-UHFFFAOYSA-N
Mol Weight 250.28 g/mol
Molecular Formula C10H10N4O2S
Exact Mass 250.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NkxZoDTVjG
Name 1-Benzyl-5-methylsulfanyl-3-nitro-1H-[1,2,4]triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N4O2S
InChI InChI=1S/C10H10N4O2S/c1-17-10-11-9(14(15)16)12-13(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey UPKGGHMVZOXJTC-UHFFFAOYSA-N
Molecular Weight 250.276 g/mol
SMILES c1(nc(SC)[n](n1)Cc1ccccc1)N(=O)=O
SPLASH splash10-0006-9020000000-67d775d854489d1cb127
Synonyms 1-Benzyl-5-(methylthio)-3-nitro-1,2,4-triazole 1-Benzyl-5-methylsulfanyl-3-nitro-1,2,4-triazole 5-(methylthio)-3-nitro-1-(phenylmethyl)-1,2,4-triazole 5-Methylsulfanyl-3-nitro-1-(phenylmethyl)-1,2,4-triazole
Wiley ID 1462908