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3-[(4-benzhydryl-1-piperazinyl)carbonyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID IM2XzZjWF1I
InChI InChI=1S/C32H29F2N5O/c1-22-12-14-23(15-13-22)27-20-28(30(33)34)39-31(36-27)26(21-35-39)32(40)38-18-16-37(17-19-38)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,20-21,29-30H,16-19H2,1H3
InChIKey JAAZXRWISBJMJE-UHFFFAOYSA-N
Mol Weight 537.6 g/mol
Molecular Formula C32H29F2N5O
Exact Mass 537.234017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5HbI2032C4E
Name 3-[(4-benzhydryl-1-piperazinyl)carbonyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
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/C32H29F2N5O/c1-22-12-14-23(15-13-22)27-20-28(30(33)34)39-31(36-27)26(21-35-39)32(40)38-18-16-37(17-19-38)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,20-21,29-30H,16-19H2,1H3
InChIKey JAAZXRWISBJMJE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3861
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: 9319378; UBI_ID: UBI-003862
Temperature 308 °C