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4-(2-Methylallyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID 1lLt4Xdjr4a
InChI InChI=1S/C15H19N3O3S/c1-9(2)8-18-14(16-17-15(18)22)10-6-11(19-3)13(21-5)12(7-10)20-4/h6-7H,1,8H2,2-5H3,(H,17,22)
InChIKey DAMAJUGBLXHCME-UHFFFAOYSA-N
Mol Weight 321.39 g/mol
Molecular Formula C15H19N3O3S
Exact Mass 321.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HPTOQyqPzZ
Name 4-(2-Methylallyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19N3O3S
InChI InChI=1S/C15H19N3O3S/c1-9(2)8-18-14(16-17-15(18)22)10-6-11(19-3)13(21-5)12(7-10)20-4/h6-7H,1,8H2,2-5H3,(H,17,22)
InChIKey DAMAJUGBLXHCME-UHFFFAOYSA-N
Molecular Weight 321.395 g/mol
SMILES Sc1[n](c(nn1)-c1cc(OC)c(c(c1)OC)OC)CC(=C)C
SPLASH splash10-05fr-5829000000-6857d5e19cc9a9a78bad
Synonyms 4-(2-Methylprop-2-enyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione 4H-[1,2,4]Triazole-3-thiol, 4-(2-methylallyl)-5-(3,4,5-trimethoxyphenyl)-
Wiley ID 1437581