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1-(4-Methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SpectraBase Compound ID DIEtDX0zDga
InChI InChI=1S/C12H13N3O2S/c1-15-8-13-14-12(15)18-7-11(16)9-3-5-10(17-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey VSKKWDMIDTVZIW-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCfKZ6pgGk1
Name 1-(4-Methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS Registry Number 298687-83-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-15-8-13-14-12(15)18-7-11(16)9-3-5-10(17-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey VSKKWDMIDTVZIW-UHFFFAOYSA-N
Molecular Weight 263.315 g/mol
SMILES COc1ccc(C(CSc2[n](cnn2)C)=O)cc1
SPLASH splash10-000i-3910000000-f7971b0c69da6ba1a749
Source of Spectrum AD-0-2532-0
Synonyms 1-(4-Methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone 1-(4-Methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone Ethanone, 1-(4-methoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-ylthio)-
Wiley ID 1429312