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4-Allyl-1,5-dimethyl-4H-1,2,4-triazol-1-ium-3-thiolate
SpectraBase Compound ID 9ymy6Imor4k
InChI InChI=1S/C7H11N3S/c1-4-5-10-6(2)9(3)8-7(10)11/h4H,1,5H2,2-3H3
InChIKey DBOAGCVYHOZJGD-UHFFFAOYSA-N
Mol Weight 169.25 g/mol
Molecular Formula C7H11N3S
Exact Mass 169.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77Uosspva3K
Name 4-Allyl-1,5-dimethyl-4H-1,2,4-triazol-1-ium-3-thiolate
Alternate Name(s) 1,5-Dimethyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11N3S
InChI InChI=1S/C7H11N3S/c1-4-5-10-6(2)9(3)8-7(10)11/h4H,1,5H2,2-3H3
InChIKey DBOAGCVYHOZJGD-UHFFFAOYSA-N
Molecular Weight 169.246 g/mol
SMILES Cc1[n](CC=C)c([S-])n[n+]1C
SPLASH splash10-052f-9400000000-667a451b262d97f88df1
Source of Spectrum JX-2012-432
Wiley ID 1660879