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1-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(4-fluorophenyl)piperazine
SpectraBase Compound ID 2g7us85gA4t
InChI InChI=1S/C17H17ClF4N4O/c1-11-15(18)16(17(20,21)22)23-26(11)10-14(27)25-8-6-24(7-9-25)13-4-2-12(19)3-5-13/h2-5H,6-10H2,1H3
InChIKey HTYBEXPZARGDNU-UHFFFAOYSA-N
Mol Weight 404.8 g/mol
Molecular Formula C17H17ClF4N4O
Exact Mass 404.102702 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CHt8iYHspBg
Name 1-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(4-fluorophenyl)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/C17H17ClF4N4O/c1-11-15(18)16(17(20,21)22)23-26(11)10-14(27)25-8-6-24(7-9-25)13-4-2-12(19)3-5-13/h2-5H,6-10H2,1H3
InChIKey HTYBEXPZARGDNU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11993
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/9099821; UBI_ID: UBI-011996
Temperature 308 °C