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3-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID CIMxB2CWxg0
InChI InChI=1S/C26H23F2N5O3/c27-24(28)21-13-20(18-4-2-1-3-5-18)30-25-19(14-29-33(21)25)26(34)32-10-8-31(9-11-32)15-17-6-7-22-23(12-17)36-16-35-22/h1-7,12-14,24H,8-11,15-16H2
InChIKey XOKVAQCOFZYPAN-UHFFFAOYSA-N
Mol Weight 491.5 g/mol
Molecular Formula C26H23F2N5O3
Exact Mass 491.176896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6WNjJM4nk0R
Name 3-{[4-(1,3-benzodioxol-5-ylmethyl)-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/C26H23F2N5O3/c27-24(28)21-13-20(18-4-2-1-3-5-18)30-25-19(14-29-33(21)25)26(34)32-10-8-31(9-11-32)15-17-6-7-22-23(12-17)36-16-35-22/h1-7,12-14,24H,8-11,15-16H2
InChIKey XOKVAQCOFZYPAN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1378
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/1208834; Labnumber: AC-NHALL/1300950; UZI_ID: UZI-001380
Temperature 308 °C