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2-Phenyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo-[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID FwSpSer04nt
InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)11-9-12(13-7-4-8-25-13)21-15-14(11)16(24)23(22-15)10-5-2-1-3-6-10/h1-9H,(H,21,22)
InChIKey ZNYJWBONXNBPEQ-UHFFFAOYSA-N
Mol Weight 361.34 g/mol
Molecular Formula C17H10F3N3OS
Exact Mass 361.049668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hkRgPBFSsI
Name 2-Phenyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo-[3,4-b]pyridin-3(2H)-one
Appearance Yellow crystals
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Exact Mass 361.049667616 u
Formula C17H10F3N3OS
InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)11-9-12(13-7-4-8-25-13)21-15-14(11)16(24)23(22-15)10-5-2-1-3-6-10/h1-9H,(H,21,22)
InChIKey ZNYJWBONXNBPEQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 361.342 g/mol
Quality 247
Reported Formula C17H10F3N3OS
SMILES N1N(C(C=2C1=NC(=CC2C(F)(F)F)C=1SC=CC1)=O)C1=CC=CC=C1
SPLASH splash10-03di-0009000000-46f4480bb4ad957fc32f
Source of Spectrum K1-2018-2638-2d (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891653