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4-Amino-5-[(3,4,5-trimethoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KyhrutLz6QK
InChI InChI=1S/C12H16N4O3S/c1-17-8-4-7(5-9(18-2)11(8)19-3)6-10-14-15-12(20)16(10)13/h4-5H,6,13H2,1-3H3,(H,15,20)
InChIKey VTLIMEWWILDQSY-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C12H16N4O3S
Exact Mass 296.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ic4jhy3eRxc
Name 4-Amino-5-[(3,4,5-trimethoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
Alternate Name(s) 4-Amino-5-(3,4,5-trimethoxybenzyl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O3S
InChI InChI=1S/C12H16N4O3S/c1-17-8-4-7(5-9(18-2)11(8)19-3)6-10-14-15-12(20)16(10)13/h4-5H,6,13H2,1-3H3,(H,15,20)
InChIKey VTLIMEWWILDQSY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201600021
Molecular Weight 296.345 g/mol
SMILES N[n]1c(nnc1S)Cc1cc(c(c(c1)OC)OC)OC
SPLASH splash10-000t-1190000000-cd162c09d0ddb3ab479f
Source of Spectrum APC-349-677-8
Wiley ID 1800720