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3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID 2ZrG9p7LEHw
InChI InChI=1S/C21H22ClN3O3/c1-11-19(12(2)25(24-11)10-15-5-3-4-6-16(15)22)23-20(26)17-13-7-8-14(9-13)18(17)21(27)28/h3-8,13-14,17-18H,9-10H2,1-2H3,(H,23,26)(H,27,28)
InChIKey MEMQITQFYKCDMQ-UHFFFAOYSA-N
Mol Weight 399.88 g/mol
Molecular Formula C21H22ClN3O3
Exact Mass 399.134969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kd64aPyDdQf
Name 3-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-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/C21H22ClN3O3/c1-11-19(12(2)25(24-11)10-15-5-3-4-6-16(15)22)23-20(26)17-13-7-8-14(9-13)18(17)21(27)28/h3-8,13-14,17-18H,9-10H2,1-2H3,(H,23,26)(H,27,28)
InChIKey MEMQITQFYKCDMQ-UHFFFAOYSA-N
NMR Offset 17.9125
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33463
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: 1927499; SBI_ID: SBI-033467
Temperature 303 °C