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N-(1,3-benzodioxol-5-ylmethyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID 7lidsnaslWB
InChI InChI=1S/C22H16F2N4O3/c23-20(24)17-9-16(14-4-2-1-3-5-14)27-21-15(11-26-28(17)21)22(29)25-10-13-6-7-18-19(8-13)31-12-30-18/h1-9,11,20H,10,12H2,(H,25,29)
InChIKey WADQUDODXNFUKM-UHFFFAOYSA-N
Mol Weight 422.39 g/mol
Molecular Formula C22H16F2N4O3
Exact Mass 422.119047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IyqcKXWhM83
Name N-(1,3-benzodioxol-5-ylmethyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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/C22H16F2N4O3/c23-20(24)17-9-16(14-4-2-1-3-5-14)27-21-15(11-26-28(17)21)22(29)25-10-13-6-7-18-19(8-13)31-12-30-18/h1-9,11,20H,10,12H2,(H,25,29)
InChIKey WADQUDODXNFUKM-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2068
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: 9313108; UBI_ID: UBI-002069
Temperature 313 °C