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3-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID H5vBm8fhIhS
InChI InChI=1S/C25H22ClF2N5O/c1-16-7-8-18(26)13-21(16)31-9-11-32(12-10-31)25(34)19-15-29-33-22(23(27)28)14-20(30-24(19)33)17-5-3-2-4-6-17/h2-8,13-15,23H,9-12H2,1H3
InChIKey JJEGWNVQKADIBP-UHFFFAOYSA-N
Mol Weight 481.93 g/mol
Molecular Formula C25H22ClF2N5O
Exact Mass 481.148094 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Jq3E5i2fEv
Name 3-{[4-(5-chloro-2-methylphenyl)-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/C25H22ClF2N5O/c1-16-7-8-18(26)13-21(16)31-9-11-32(12-10-31)25(34)19-15-29-33-22(23(27)28)14-20(30-24(19)33)17-5-3-2-4-6-17/h2-8,13-15,23H,9-12H2,1H3
InChIKey JJEGWNVQKADIBP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2340
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: 9312669; UBI_ID: UBI-002341
Temperature 318 °C