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2-Phenyl-5-(2-sulfanylbenzoyl)-6-(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SpectraBase Compound ID DAFZEYBIj0r
InChI InChI=1S/C20H12F3N3O2S/c21-20(22,23)17-13(16(27)12-8-4-5-9-15(12)29)10-14-18(24-17)25-26(19(14)28)11-6-2-1-3-7-11/h1-10,29H,(H,24,25)
InChIKey DTVXBRNURXJJFP-UHFFFAOYSA-N
Mol Weight 415.39 g/mol
Molecular Formula C20H12F3N3O2S
Exact Mass 415.060232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Las37ET09H
Name 2-Phenyl-5-(2-sulfanylbenzoyl)-6-(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12F3N3O2S
InChI InChI=1S/C20H12F3N3O2S/c21-20(22,23)17-13(16(27)12-8-4-5-9-15(12)29)10-14-18(24-17)25-26(19(14)28)11-6-2-1-3-7-11/h1-10,29H,(H,24,25)
InChIKey DTVXBRNURXJJFP-UHFFFAOYSA-N
Molecular Weight 415.390 g/mol
SMILES Sc1c(C(c2c(nc3NN(C(c3c2)=O)c2ccccc2)C(F)(F)F)=O)cccc1
SPLASH splash10-01r2-3129600000-dece2355158b4f3e6e88
Source of Spectrum F4-42-675-6c
Wiley ID 1673719