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3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SpectraBase Compound ID 4mzlS21ytF1
InChI InChI=1S/C20H17ClF3N3O2/c1-12-18(21)13(2)27(26-12)11-14-4-3-5-15(10-14)19(28)25-16-6-8-17(9-7-16)29-20(22,23)24/h3-10H,11H2,1-2H3,(H,25,28)
InChIKey KSPQRGFPQZQJSW-UHFFFAOYSA-N
Mol Weight 423.82 g/mol
Molecular Formula C20H17ClF3N3O2
Exact Mass 423.096139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5BiS9Magb8y
Name 3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
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/C20H17ClF3N3O2/c1-12-18(21)13(2)27(26-12)11-14-4-3-5-15(10-14)19(28)25-16-6-8-17(9-7-16)29-20(22,23)24/h3-10H,11H2,1-2H3,(H,25,28)
InChIKey KSPQRGFPQZQJSW-UHFFFAOYSA-N
NMR Offset 17.9128
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_29903
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: 1411753; SBI_ID: SBI-029907
Temperature 303 °C