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4-(p-methoxyphenyl)-3-.delta(2).-(butylthio)-1,2,4-triazolin-5-one
SpectraBase Compound ID AAxmlP8huwK
InChI InChI=1S/C13H17N3O2S/c1-3-4-9-19-13-15-14-12(17)16(13)10-5-7-11(18-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,14,17)
InChIKey POUBUDAPQASOFQ-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C13H17N3O2S
Exact Mass 279.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxLkLEsxBAw
Name 4-(p-methoxyphenyl)-3-.delta(2).-(butylthio)-1,2,4-triazolin-5-one
Alternate Name(s) 3-Butylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O2S
InChI InChI=1S/C13H17N3O2S/c1-3-4-9-19-13-15-14-12(17)16(13)10-5-7-11(18-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,14,17)
InChIKey POUBUDAPQASOFQ-UHFFFAOYSA-N
Molecular Weight 279.358 g/mol
SMILES N1N=C(N(C1=O)c1ccc(cc1)OC)SCCCC
SPLASH splash10-00fr-0190000000-b15d903a6d176adf5c6c
Source of Spectrum SK-31-1603-3
Wiley ID 881986