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N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
SpectraBase Compound ID Itki7ZxoAdj
InChI InChI=1S/C20H14ClF2N5O3/c21-15-8-12(6-7-16(15)31-20(22)23)26-17(29)10-27-11-24-18-14(19(27)30)9-25-28(18)13-4-2-1-3-5-13/h1-9,11,20H,10H2,(H,26,29)
InChIKey WMNHGSXYUIQGPR-UHFFFAOYSA-N
Mol Weight 445.81 g/mol
Molecular Formula C20H14ClF2N5O3
Exact Mass 445.075323 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 23DjFIExZSb
Name N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H14ClF2N5O3/c21-15-8-12(6-7-16(15)31-20(22)23)26-17(29)10-27-11-24-18-14(19(27)30)9-25-28(18)13-4-2-1-3-5-13/h1-9,11,20H,10H2,(H,26,29)
InChIKey WMNHGSXYUIQGPR-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33907
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1998050; SBI_ID: SBI-033911
Temperature 297 °C