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1H-1,2,4-Triazole, 3-(methylthio)-1-[1-(phenylmethyl)ethenyl]-
SpectraBase Compound ID Cj2oeBV6lUI
InChI InChI=1S/C12H13N3S/c1-10(8-11-6-4-3-5-7-11)15-9-13-12(14-15)16-2/h3-7,9H,1,8H2,2H3
InChIKey OGRHPQRQEMOGMC-UHFFFAOYSA-N
Mol Weight 231.32 g/mol
Molecular Formula C12H13N3S
Exact Mass 231.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GK3NSQid3f5
Name 1H-1,2,4-Triazole, 3-(methylthio)-1-[1-(phenylmethyl)ethenyl]-
Alternate Name(s) 1-(1-benzylvinyl)-1H-1,2,4-triazol-3-yl methyl sulfide 1-(1-benzylvinyl)-3-(methylsulfanyl)-1H-1,2,4-triazole 1H-1,2,4-triazile, 3-methylthio-1-[1-(phenylmethyl)ethenyl]-
CAS Registry Number 112390-16-6
Comments Less than 3 mono-isotopic peaks
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Formula C12H13N3S
InChI InChI=1S/C12H13N3S/c1-10(8-11-6-4-3-5-7-11)15-9-13-12(14-15)16-2/h3-7,9H,1,8H2,2H3
InChIKey OGRHPQRQEMOGMC-UHFFFAOYSA-N
Molecular Weight 231.317 g/mol
SMILES c1(nc[n](n1)C(Cc1ccccc1)=C)SC
SPLASH splash10-014i-0920000000-a8a423f784b1e4db1ae3
Source of Spectrum KC-1987-1570-6
Wiley ID 1232691