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6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID E02k9B3ZPGR
InChI InChI=1S/C20H22ClN3O3/c1-12-18(22-19(25)16-5-3-4-6-17(16)20(26)27)13(2)24(23-12)11-14-7-9-15(21)10-8-14/h3-4,7-10,16-17H,5-6,11H2,1-2H3,(H,22,25)(H,26,27)
InChIKey USIUGWOPSFXAQY-UHFFFAOYSA-N
Mol Weight 387.87 g/mol
Molecular Formula C20H22ClN3O3
Exact Mass 387.134969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8tC1xnDwP71
Name 6-({[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
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/C20H22ClN3O3/c1-12-18(22-19(25)16-5-3-4-6-17(16)20(26)27)13(2)24(23-12)11-14-7-9-15(21)10-8-14/h3-4,7-10,16-17H,5-6,11H2,1-2H3,(H,22,25)(H,26,27)
InChIKey USIUGWOPSFXAQY-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4094
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/9154996; Labnumber: BAM_UACK/002265; UZI_ID: UZI-004096
Temperature 313 °C