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4-p-Ethoxyphenyl-3-allylthio-.delta.(2)-1,2,4-triazolin-5-one
SpectraBase Compound ID EJ0qvQqjXsL
InChI InChI=1S/C13H15N3O2S/c1-3-9-19-13-15-14-12(17)16(13)10-5-7-11(8-6-10)18-4-2/h3,5-8H,1,4,9H2,2H3,(H,14,17)
InChIKey ZMRUVNPHUMIFEM-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C13H15N3O2S
Exact Mass 277.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpScTidMvFW
Name 4-p-Ethoxyphenyl-3-allylthio-.delta.(2)-1,2,4-triazolin-5-one
Alternate Name(s) 4-(4-Ethoxyphenyl)-3-(prop-2-enylthio)-1H-1,2,4-triazol-5-one 3-Allylsulfanyl-4-(4-ethoxyphenyl)-1H-1,2,4-triazol-5-one 4-(4-Ethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one
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Formula C13H15N3O2S
InChI InChI=1S/C13H15N3O2S/c1-3-9-19-13-15-14-12(17)16(13)10-5-7-11(8-6-10)18-4-2/h3,5-8H,1,4,9H2,2H3,(H,14,17)
InChIKey ZMRUVNPHUMIFEM-UHFFFAOYSA-N
Molecular Weight 277.342 g/mol
SMILES N1N=C(N(C1=O)c1ccc(cc1)OCC)SCC=C
SPLASH splash10-0059-0290000000-81c9eb96bfc55907e8a4
Source of Spectrum KC-57-2008-5
Wiley ID 1623235