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2-{[4-(3-chlorophenyl)-1-piperazinyl]carbonyl}-5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID AfWAedDSRMa
InChI InChI=1S/C22H16Cl2F3N5OS/c23-13-2-1-3-14(10-13)30-6-8-31(9-7-30)21(33)16-12-20-28-15(17-4-5-19(24)34-17)11-18(22(25,26)27)32(20)29-16/h1-5,10-12H,6-9H2
InChIKey GRFHYUMAYIJBKU-UHFFFAOYSA-N
Mol Weight 526.37 g/mol
Molecular Formula C22H16Cl2F3N5OS
Exact Mass 525.040471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EqiG0Jsxg38
Name 2-{[4-(3-chlorophenyl)-1-piperazinyl]carbonyl}-5-(5-chloro-2-thienyl)-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/C22H16Cl2F3N5OS/c23-13-2-1-3-14(10-13)30-6-8-31(9-7-30)21(33)16-12-20-28-15(17-4-5-19(24)34-17)11-18(22(25,26)27)32(20)29-16/h1-5,10-12H,6-9H2
InChIKey GRFHYUMAYIJBKU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6197
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/1025060; Labnumber: COL1068; UZI_ID: UZI-006199
Temperature 318 °C