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2-(Cyanomethyl)-5-hydroxy-7-(4-methoxyphenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID 715opjMtrii
InChI InChI=1S/C16H12N4O2S/c1-22-10-4-2-9(3-5-10)13-11(8-18)16(21)20-15-14(13)23-12(19-15)6-7-17/h2-5,13,20-21H,6H2,1H3
InChIKey REUIKJNEHXHVPM-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C16H12N4O2S
Exact Mass 324.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HreOgX8s83L
Name 2-(Cyanomethyl)-5-hydroxy-7-(4-methoxyphenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Yellow crystals
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Formula C16H12N4O2S
InChI InChI=1S/C16H12N4O2S/c1-22-10-4-2-9(3-5-10)13-11(8-18)16(21)20-15-14(13)23-12(19-15)6-7-17/h2-5,13,20-21H,6H2,1H3
InChIKey REUIKJNEHXHVPM-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5988 A or Shimadzu QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3870
Molecular Weight 324.358 g/mol
SMILES N1c2c(C(C(=C1O)C#N)c1ccc(cc1)OC)sc(n2)CC#N
SPLASH splash10-0a4i-9000000000-076c89e8fdf715685737
Source of Spectrum Y-57-1340-6f
Wiley ID 1860094