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1H-1,2,4-triazolium, 4-hexyl-3-mercapto-1,5-dimethyl-, inner salt
SpectraBase Compound ID 715lZB8RY6Q
InChI InChI=1S/C10H19N3S/c1-4-5-6-7-8-13-9(2)12(3)11-10(13)14/h4-8H2,1-3H3
InChIKey PKWRWYAQEAJBHP-UHFFFAOYSA-N
Mol Weight 213.34 g/mol
Molecular Formula C10H19N3S
Exact Mass 213.129969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3lznzEt2ye
Name 1H-1,2,4-triazolium, 4-hexyl-3-mercapto-1,5-dimethyl-, inner salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H19N3S
InChI InChI=1S/C10H19N3S/c1-4-5-6-7-8-13-9(2)12(3)11-10(13)14/h4-8H2,1-3H3
InChIKey PKWRWYAQEAJBHP-UHFFFAOYSA-N
Molecular Weight 213.343 g/mol
SMILES CCCCCC[n+]1c([S-])n[n](C)c1C
SPLASH splash10-06u6-7920000000-9317939909bbc035badb
Source of Spectrum JX-2015-0-169
Synonyms 4-Hexyl-1,5-dimethyl-1H-1,2,4-triazol-4-ium-3-thiolate
Wiley ID 1720145