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3-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-4-methoxybenzamide
SpectraBase Compound ID 9JNVX3CVHca
InChI InChI=1S/C27H21ClF5N3O3/c1-13-26(14(2)36(35-13)11-17-21(29)23(31)25(33)24(32)22(17)30)34-27(37)15-8-9-19(38-3)16(10-15)12-39-20-7-5-4-6-18(20)28/h4-10H,11-12H2,1-3H3,(H,34,37)
InChIKey VERPTKKMBDMORW-UHFFFAOYSA-N
Mol Weight 565.93 g/mol
Molecular Formula C27H21ClF5N3O3
Exact Mass 565.11916 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 53A9ZUHzXAY
Name 3-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-4-methoxybenzamide
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/C27H21ClF5N3O3/c1-13-26(14(2)36(35-13)11-17-21(29)23(31)25(33)24(32)22(17)30)34-27(37)15-8-9-19(38-3)16(10-15)12-39-20-7-5-4-6-18(20)28/h4-10H,11-12H2,1-3H3,(H,34,37)
InChIKey VERPTKKMBDMORW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10330
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/1020163; Labnumber: KMB0192; UZI_ID: UZI-010332
Temperature 308 °C