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5-(3,4-dimethoxyphenyl)-2-{[4-(3-fluorobenzoyl)-1-piperazinyl]carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 2KpeMdxt9Kn
InChI InChI=1S/C27H23F4N5O4/c1-39-21-7-6-16(13-22(21)40-2)19-14-23(27(29,30)31)36-24(32-19)15-20(33-36)26(38)35-10-8-34(9-11-35)25(37)17-4-3-5-18(28)12-17/h3-7,12-15H,8-11H2,1-2H3
InChIKey HKXICYYVXGAPME-UHFFFAOYSA-N
Mol Weight 557.51 g/mol
Molecular Formula C27H23F4N5O4
Exact Mass 557.168617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9rPEAczPLgN
Name 5-(3,4-dimethoxyphenyl)-2-{[4-(3-fluorobenzoyl)-1-piperazinyl]carbonyl}-7-(trifluoromethyl)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/C27H23F4N5O4/c1-39-21-7-6-16(13-22(21)40-2)19-14-23(27(29,30)31)36-24(32-19)15-20(33-36)26(38)35-10-8-34(9-11-35)25(37)17-4-3-5-18(28)12-17/h3-7,12-15H,8-11H2,1-2H3
InChIKey HKXICYYVXGAPME-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12037
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/9099966; UBI_ID: UBI-012040
Temperature 308 °C