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3-bromo-4-methyl-1,2,4-triazole
SpectraBase Compound ID EyCyrBgrDJR
InChI InChI=1S/C3H4BrN3/c1-7-2-5-6-3(7)4/h2H,1H3
InChIKey PYMVKLCRJYMSGC-UHFFFAOYSA-N
Mol Weight 161.99 g/mol
Molecular Formula C3H4BrN3
Exact Mass 160.95886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEqPJFvWNoU
Name 4H-1,2,4-Triazole, 3-bromo-4-methyl-
CAS Registry Number 16681-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H4BrN3
InChI InChI=1S/C3H4BrN3/c1-7-2-5-6-3(7)4/h2H,1H3
InChIKey PYMVKLCRJYMSGC-UHFFFAOYSA-N
Molecular Weight 161.990 g/mol
SMILES C[n]1cnnc1Br
SPLASH splash10-03di-8900000000-3008988581c2baa8511d
Source of Spectrum Y-12-655-3
Synonyms 3-Bromanyl-4-methyl-1,2,4-triazole 3-Bromo-4-methyl-1,2,4-triazole 3-Bromo-4-methyl-4H-1,2,4-triazole
Wiley ID 1157455