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3-((3-aminopropyl)thio)-1,4,5-trimethyl-4H-1,2,4-triazol-1-ium bromide hydrobromide

View entire compound with spectra: 1 MS (GC)

3-((3-aminopropyl)thio)-1,4,5-trimethyl-4H-1,2,4-triazol-1-ium bromide hydrobromide
SpectraBase Compound ID Ff7GHJPxOEY
InChI InChI=1S/C8H17N4S.BrH.Br/c1-7-11(2)8(10-12(7)3)13-6-4-5-9;;/h4-6,9H2,1-3H3;1H;/q+1;;/p-1
InChIKey GKIGXAQVEMIYMB-UHFFFAOYSA-M
Mol Weight 361.12 g/mol
Molecular Formula C8H17Br2N4S
Exact Mass 358.954069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuHh9M18EcY
Name 3-((3-aminopropyl)thio)-1,4,5-trimethyl-4H-1,2,4-triazol-1-ium bromide hydrobromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18Br2N4S
InChI InChI=1S/C8H17N4S.BrH.Br/c1-7-11(2)8(10-12(7)3)13-6-4-5-9;;/h4-6,9H2,1-3H3;1H;/q+1;;/p-1
InChIKey GKIGXAQVEMIYMB-UHFFFAOYSA-M
Molecular Weight 362.128 g/mol
SMILES Br.NCCCSc1[n](c([n+](C)n1)C)C.[Br-]
SPLASH splash10-053r-9500000000-a9f8c42a84b54b5f155c
Source of Spectrum JX-2015-3-1327
Wiley ID 1724823