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3-Bromo-1H-1,2,4-triazol-5-yl methyl sulfone
SpectraBase Compound ID F4UGm7zfY5Z
InChI InChI=1S/C3H4BrN3O2S/c1-10(8,9)3-5-2(4)6-7-3/h1H3,(H,5,6,7)
InChIKey SKMPKUZJIVVSEJ-UHFFFAOYSA-N
Mol Weight 226.05 g/mol
Molecular Formula C3H4BrN3O2S
Exact Mass 224.920761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YWVlDAidnz
Name 3-Bromo-1H-1,2,4-triazol-5-yl methyl sulfone
Alternate Name(s) 1,2,4-Triazole, 3-bromo-5-methylsulfonyl- 3-Bromanyl-5-methylsulfonyl-1H-1,2,4-triazole 3-Bromo-5-mesyl-1H-1,2,4-triazole 3-Bromo-5-methylsulfonyl-1H-1,2,4-triazole
CAS Registry Number 312512-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H4BrN3O2S
InChI InChI=1S/C3H4BrN3O2S/c1-10(8,9)3-5-2(4)6-7-3/h1H3,(H,5,6,7)
InChIKey SKMPKUZJIVVSEJ-UHFFFAOYSA-N
Molecular Weight 226.048 g/mol
SMILES [nH]1nc(nc1S(=O)(=O)C)Br
SPLASH splash10-03fr-9510000000-30144c2db64082ca01f0
Source of Spectrum AD-0-2532-0
Wiley ID 1431151