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4-isopropyl-1,5-dimethyl-4H-1,2,4-triazol-1-ium-3-thiolate
SpectraBase Compound ID 8wy53bY0ghz
InChI InChI=1S/C7H13N3S/c1-5(2)10-6(3)9(4)8-7(10)11/h5H,1-4H3
InChIKey SANUITKNJINCRR-UHFFFAOYSA-N
Mol Weight 171.26 g/mol
Molecular Formula C7H13N3S
Exact Mass 171.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvvBkbNXwrm
Name 4-isopropyl-1,5-dimethyl-4H-1,2,4-triazol-1-ium-3-thiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13N3S
InChI InChI=1S/C7H13N3S/c1-5(2)10-6(3)9(4)8-7(10)11/h5H,1-4H3
InChIKey SANUITKNJINCRR-UHFFFAOYSA-N
Molecular Weight 171.262 g/mol
SMILES CC(C)[n]1c([S-])n[n+](C)c1C
SPLASH splash10-00g3-9800000000-347b1b14515ba9bb678e
Source of Spectrum JX-2012-500
Synonyms 1,5-Dimethyl-4-propan-2-yl-1,2,4-triazol-4-ium-3-thiolate
Wiley ID 1660947