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cyclohexanone O-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}oxime
SpectraBase Compound ID CreI9fWTmxq
InChI InChI=1S/C20H16ClF3N4O2/c21-13-8-6-12(7-9-13)15-10-17(20(22,23)24)28-18(25-15)11-16(26-28)19(29)30-27-14-4-2-1-3-5-14/h6-11H,1-5H2
InChIKey PKKQTMCDLSVNMW-UHFFFAOYSA-N
Mol Weight 436.82 g/mol
Molecular Formula C20H16ClF3N4O2
Exact Mass 436.091388 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YDlXzC7PGB
Name cyclohexanone O-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}oxime
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/C20H16ClF3N4O2/c21-13-8-6-12(7-9-13)15-10-17(20(22,23)24)28-18(25-15)11-16(26-28)19(29)30-27-14-4-2-1-3-5-14/h6-11H,1-5H2
InChIKey PKKQTMCDLSVNMW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1361
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: 9310851; UBI_ID: UBI-001362
Temperature 313 °C