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3-[(4-benzhydryl-1-piperazinyl)carbonyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 6NlsMbESQqS
InChI InChI=1S/C31H27F2N5O/c32-29(33)27-20-26(22-10-4-1-5-11-22)35-30-25(21-34-38(27)30)31(39)37-18-16-36(17-19-37)28(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21,28-29H,16-19H2
InChIKey MBKOCYCBKWHGTF-UHFFFAOYSA-N
Mol Weight 523.59 g/mol
Molecular Formula C31H27F2N5O
Exact Mass 523.218367 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JYLG26wFVka
Name 3-[(4-benzhydryl-1-piperazinyl)carbonyl]-7-(difluoromethyl)-5-phenylpyrazolo[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/C31H27F2N5O/c32-29(33)27-20-26(22-10-4-1-5-11-22)35-30-25(21-34-38(27)30)31(39)37-18-16-36(17-19-37)28(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21,28-29H,16-19H2
InChIKey MBKOCYCBKWHGTF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20757
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: UZI/9313038; UBI_ID: UBI-020761
Temperature 313 °C