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1-benzyl-4-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperazine
SpectraBase Compound ID 7LnxWJlciCl
InChI InChI=1S/C18H20ClF3N4O/c1-13-16(19)17(18(20,21)22)23-26(13)12-15(27)25-9-7-24(8-10-25)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKey GJJCJDOUTRSIIN-UHFFFAOYSA-N
Mol Weight 400.83 g/mol
Molecular Formula C18H20ClF3N4O
Exact Mass 400.127773 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2sl9tYwbjoL
Name 1-benzyl-4-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}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/C18H20ClF3N4O/c1-13-16(19)17(18(20,21)22)23-26(13)12-15(27)25-9-7-24(8-10-25)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKey GJJCJDOUTRSIIN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11752
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/9099638; UBI_ID: UBI-011755
Temperature 308 °C