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4H-1,2,4-triazole, 3,5-bis(methylsulfonyl)-
SpectraBase Compound ID CnL05nkowtO
InChI InChI=1S/C4H7N3O4S2/c1-12(8,9)3-5-4(7-6-3)13(2,10)11/h1-2H3,(H,5,6,7)
InChIKey IKCXZPHLSUDGPK-UHFFFAOYSA-N
Mol Weight 225.24 g/mol
Molecular Formula C4H7N3O4S2
Exact Mass 224.987798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tgCmREdIpz
Name 4H-1,2,4-triazole, 3,5-bis(methylsulfonyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H7N3O4S2
InChI InChI=1S/C4H7N3O4S2/c1-12(8,9)3-5-4(7-6-3)13(2,10)11/h1-2H3,(H,5,6,7)
InChIKey IKCXZPHLSUDGPK-UHFFFAOYSA-N
Molecular Weight 225.237 g/mol
SMILES [nH]1c(nnc1S(C)(=O)=O)S(C)(=O)=O
SPLASH splash10-03fr-9110000000-79329699151d06ba4d30
Source of Spectrum JX-2015-0-657
Synonyms 3,5-Bis(methylsulfonyl)-4H-1,2,4-triazole 3,5-Bis(methylsulfonyl)-1H-1,2,4-triazole
Wiley ID 1720568