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2-Methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo-[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID 70RfFS41Chd
InChI InChI=1S/C12H8F3N3OS/c1-18-11(19)9-6(12(13,14)15)5-7(16-10(9)17-18)8-3-2-4-20-8/h2-5H,1H3,(H,16,17)
InChIKey RQFQQFINXGVQSX-UHFFFAOYSA-N
Mol Weight 299.27 g/mol
Molecular Formula C12H8F3N3OS
Exact Mass 299.034018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCyQ7AVUkxk
Name 2-Methyl-6-(thiophen-2-yl)-4-(trifluoromethyl)-1H-pyrazolo-[3,4-b]pyridin-3(2H)-one
Appearance Yellow crystals
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Exact Mass 299.034017552 u
Formula C12H8F3N3OS
InChI InChI=1S/C12H8F3N3OS/c1-18-11(19)9-6(12(13,14)15)5-7(16-10(9)17-18)8-3-2-4-20-8/h2-5H,1H3,(H,16,17)
InChIKey RQFQQFINXGVQSX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 299.271 g/mol
Quality 188
Reported Formula C12H8F3N3OS
SMILES N1N(C(C=2C1=NC(=CC2C(F)(F)F)C=1SC=CC1)=O)C
SPLASH splash10-0002-0090000000-a29c0ebe6486a0d4a1f3
Source of Spectrum K1-2018-2642-2ad (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891644