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1-{[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl}-4-phenylpyrrolidin-2-one
SpectraBase Compound ID GvQPri8GLx9
InChI InChI=1S/C14H16N4OS/c1-20-14-15-12(16-17-14)9-18-8-11(7-13(18)19)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16,17)
InChIKey NGTQYDUIZRLJBC-UHFFFAOYSA-N
Mol Weight 288.37 g/mol
Molecular Formula C14H16N4OS
Exact Mass 288.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jf4yPTAbbJD
Name 1-{[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl}-4-phenylpyrrolidin-2-one
Alternate Name(s) 1-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]methyl]-4-phenyl-2-pyrrolidinone 1-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-4-phenylpyrrolidin-2-one 1-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-4-phenyl-pyrrolidin-2-one
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Formula C14H16N4OS
InChI InChI=1S/C14H16N4OS/c1-20-14-15-12(16-17-14)9-18-8-11(7-13(18)19)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16,17)
InChIKey NGTQYDUIZRLJBC-UHFFFAOYSA-N
Molecular Weight 288.369 g/mol
SMILES [nH]1nc(nc1CN1C(CC(C1)c1ccccc1)=O)SC
SPLASH splash10-004i-6910000000-3673aad455fbe8a8d93c
Source of Spectrum IY-2-5218-8
Wiley ID 1660171