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4-p-Anisyl-3-allylthio-.delta.(2)-1,2,4-triazolin-5-one

View entire compound with spectra: 1 MS (GC)

4-p-Anisyl-3-allylthio-.delta.(2)-1,2,4-triazolin-5-one
SpectraBase Compound ID LENfswMcWl5
InChI InChI=1S/C12H13N3O2S/c1-3-8-18-12-14-13-11(16)15(12)9-4-6-10(17-2)7-5-9/h3-7H,1,8H2,2H3,(H,13,16)
InChIKey AAJUFDJJRNYJBZ-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 D0bKvTtOp9I
Name 4-p-Anisyl-3-allylthio-.delta.(2)-1,2,4-triazolin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-3-8-18-12-14-13-11(16)15(12)9-4-6-10(17-2)7-5-9/h3-7H,1,8H2,2H3,(H,13,16)
InChIKey AAJUFDJJRNYJBZ-UHFFFAOYSA-N
Molecular Weight 263.315 g/mol
SMILES N1N=C(N(C1=O)c1ccc(cc1)OC)SCC=C
SPLASH splash10-00di-0290000000-39f5772a9ad6c4b9fb9c
Source of Spectrum KC-57-2008-5
Synonyms 4-(4-Methoxyphenyl)-3-(prop-2-enylthio)-1H-1,2,4-triazol-5-one 3-Allylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one 4-(4-Methoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one
Wiley ID 1623236