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4-(2H-1,3-benzodioxol-5-ylmethyl)-5-methyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(2H-1,3-benzodioxol-5-ylmethyl)-5-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JbotMdK1Dwn
InChI InChI=1S/C11H11N3O2S/c1-7-12-13-11(17)14(7)5-8-2-3-9-10(4-8)16-6-15-9/h2-4H,5-6H2,1H3,(H,13,17)
InChIKey BCHBHPWUYUUUFK-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nUlPm97W9y
Name 4-(2H-1,3-benzodioxol-5-ylmethyl)-5-methyl-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-7-12-13-11(17)14(7)5-8-2-3-9-10(4-8)16-6-15-9/h2-4H,5-6H2,1H3,(H,13,17)
InChIKey BCHBHPWUYUUUFK-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES Sc1[n](c(nn1)C)Cc1ccc2c(c1)OCO2
SPLASH splash10-0fbj-9430000000-71ea8fe5ce0b4e715a43
Source of Spectrum IY-2-4945-1
Synonyms 4H-1,2,4-Triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl- 4-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-1,2,4-triazole-5-thione
Wiley ID 1657434