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1-{[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}-4-(4-methoxyphenyl)piperazine
SpectraBase Compound ID KDICzB08DVh
InChI InChI=1S/C17H18ClF3N4O2/c1-23-15(17(19,20)21)13(18)14(22-23)16(26)25-9-7-24(8-10-25)11-3-5-12(27-2)6-4-11/h3-6H,7-10H2,1-2H3
InChIKey QRIZJULHQAJJRV-UHFFFAOYSA-N
Mol Weight 402.81 g/mol
Molecular Formula C17H18ClF3N4O2
Exact Mass 402.107038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9n21MNHRjw0
Name 1-{[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}-4-(4-methoxyphenyl)piperazine
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/C17H18ClF3N4O2/c1-23-15(17(19,20)21)13(18)14(22-23)16(26)25-9-7-24(8-10-25)11-3-5-12(27-2)6-4-11/h3-6H,7-10H2,1-2H3
InChIKey QRIZJULHQAJJRV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10794
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/1026014; Labnumber: MEI0096; UZI_ID: UZI-010796
Synonyms 4-(4-{[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}-1-piperazinyl)phenyl methyl ether
Temperature 308 °C