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1H-1,2,4-triazole, 1-(1-methyl-2-phenylethenyl)-3-(methylthio)-
SpectraBase Compound ID I4PoTBBzhys
InChI InChI=1S/C12H13N3S/c1-10(8-11-6-4-3-5-7-11)15-9-13-12(14-15)16-2/h3-9H,1-2H3/b10-8+
InChIKey OQBQUVQNWMMWAB-CSKARUKUSA-N
Mol Weight 231.32 g/mol
Molecular Formula C12H13N3S
Exact Mass 231.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETvPdaV464H
Name 1H-1,2,4-triazole, 1-(1-methyl-2-phenylethenyl)-3-(methylthio)-
CAS Registry Number 112390-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3S
InChI InChI=1S/C12H13N3S/c1-10(8-11-6-4-3-5-7-11)15-9-13-12(14-15)16-2/h3-9H,1-2H3/b10-8+
InChIKey OQBQUVQNWMMWAB-CSKARUKUSA-N
Molecular Weight 231.317 g/mol
SMILES c1(nc[n](n1)\C(=C\c1ccccc1)C)SC
SPLASH splash10-0159-0940000000-7957fd28a4343c7be944
Source of Spectrum KC-1987-1571-6
Synonyms 1-[(E)-1-methyl-2-phenylethenyl]-3-(methylsulfanyl)-1H-1,2,4-triazole Methyl 1-[(E)-1-methyl-2-phenylethenyl]-1H-1,2,4-triazol-3-yl sulfide
Wiley ID 1232692