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N-{4-chloro-2-[hydroxy(phenyl)methyl]phenyl}-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID IgUSDqhhoUv
InChI InChI=1S/C25H20ClF3N4O2S/c26-15-8-9-18(16(11-15)22(34)14-5-2-1-3-6-14)32-24(35)17-13-30-33-21(25(27,28)29)12-19(31-23(17)33)20-7-4-10-36-20/h1-11,13,19,21-22,31,34H,12H2,(H,32,35)
InChIKey HMJDCFKNUMLIAW-UHFFFAOYSA-N
Mol Weight 532.97 g/mol
Molecular Formula C25H20ClF3N4O2S
Exact Mass 532.094759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KqrgHqeriMM
Name N-{4-chloro-2-[hydroxy(phenyl)methyl]phenyl}-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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/C25H20ClF3N4O2S/c26-15-8-9-18(16(11-15)22(34)14-5-2-1-3-6-14)32-24(35)17-13-30-33-21(25(27,28)29)12-19(31-23(17)33)20-7-4-10-36-20/h1-11,13,19,21-22,31,34H,12H2,(H,32,35)
InChIKey HMJDCFKNUMLIAW-UHFFFAOYSA-N
NMR Offset 15.3255
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9704
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/9071950; Labnumber: IDZ-0100027; UZI_ID: UZI-009706
Temperature 318 °C