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4-(4-oxo-6-{[4-(trifluoromethyl)benzyl]sulfanyl}-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
SpectraBase Compound ID 2e7cF4Cwk6j
InChI InChI=1S/C19H14F3N5O3S2/c20-19(21,22)12-3-1-11(2-4-12)10-31-18-25-16-15(17(28)26-18)9-24-27(16)13-5-7-14(8-6-13)32(23,29)30/h1-9H,10H2,(H2,23,29,30)(H,25,26,28)
InChIKey XYOCNIDLSBWHCR-UHFFFAOYSA-N
Mol Weight 481.47 g/mol
Molecular Formula C19H14F3N5O3S2
Exact Mass 481.049016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LGpwE9NWp5K
Name 4-(4-oxo-6-{[4-(trifluoromethyl)benzyl]sulfanyl}-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.049016165 u
Formula C19H14F3N5O3S2
InChI InChI=1S/C19H14F3N5O3S2/c20-19(21,22)12-3-1-11(2-4-12)10-31-18-25-16-15(17(28)26-18)9-24-27(16)13-5-7-14(8-6-13)32(23,29)30/h1-9H,10H2,(H2,23,29,30)(H,25,26,28)
InChIKey XYOCNIDLSBWHCR-UHFFFAOYSA-N
Molecular Weight 481.468 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5096
Solvent DMSO-d6
Source Vendor ID: NMR/12318337