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4-(4-Methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

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

4-(4-Methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9o9WqZSJpt2
InChI InChI=1S/C12H15N3OS/c1-8(2)11-13-14-12(17)15(11)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3,(H,14,17)
InChIKey HUBHOMPWAYZVQQ-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C12H15N3OS
Exact Mass 249.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WUSTvFcSe
Name 4-(4-Methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3OS
InChI InChI=1S/C12H15N3OS/c1-8(2)11-13-14-12(17)15(11)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3,(H,14,17)
InChIKey HUBHOMPWAYZVQQ-UHFFFAOYSA-N
Molecular Weight 249.332 g/mol
SMILES Sc1[n](c(nn1)C(C)C)-c1ccc(cc1)OC
SPLASH splash10-0007-9220000000-4006d0eb8c88a60fbe11
Source of Spectrum IY-2-4945-3
Synonyms 4H-1,2,4-Triazole-3-thiol, 4-(4-methoxyphenyl)-5-(1-methylethyl)- 4-(4-Methoxyphenyl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
Wiley ID 1657436