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4-p-Tolyl-3-allylthio-.delta.2-1,2,4-triazolin-5-one

View entire compound with spectra: 1 MS (GC)

4-p-Tolyl-3-allylthio-.delta.2-1,2,4-triazolin-5-one
SpectraBase Compound ID HTC1ghrRYIL
InChI InChI=1S/C12H13N3OS/c1-3-8-17-12-14-13-11(16)15(12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3,(H,13,16)
InChIKey UCTVRKXPJXBONH-UHFFFAOYSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNlcHZcsIyh
Name 4-p-Tolyl-3-allylthio-.delta.2-1,2,4-triazolin-5-one
Alternate Name(s) 4-(4-Methylphenyl)-3-(prop-2-enylthio)-1H-1,2,4-triazol-5-one 3-Allylsulfanyl-4-(p-tolyl)-1H-1,2,4-triazol-5-one 4-(4-Methylphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3OS
InChI InChI=1S/C12H13N3OS/c1-3-8-17-12-14-13-11(16)15(12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3,(H,13,16)
InChIKey UCTVRKXPJXBONH-UHFFFAOYSA-N
Molecular Weight 247.316 g/mol
SMILES N1N=C(N(C1=O)c1ccc(cc1)C)SCC=C
SPLASH splash10-0002-0590000000-adee204d1eddfa320af5
Source of Spectrum KC-57-2008-5
Wiley ID 1623237