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3-({[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID GNalVbwG9wL
InChI InChI=1S/C21H21Cl2N3O3/c1-10-19(11(2)26(25-10)9-14-15(22)4-3-5-16(14)23)24-20(27)17-12-6-7-13(8-12)18(17)21(28)29/h3-7,12-13,17-18H,8-9H2,1-2H3,(H,24,27)(H,28,29)
InChIKey QHPYVWAAEQUKGE-UHFFFAOYSA-N
Mol Weight 434.32 g/mol
Molecular Formula C21H21Cl2N3O3
Exact Mass 433.095997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID tR2xIPCZF4
Name 3-({[1-(2,6-dichlorobenzyl)-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/C21H21Cl2N3O3/c1-10-19(11(2)26(25-10)9-14-15(22)4-3-5-16(14)23)24-20(27)17-12-6-7-13(8-12)18(17)21(28)29/h3-7,12-13,17-18H,8-9H2,1-2H3,(H,24,27)(H,28,29)
InChIKey QHPYVWAAEQUKGE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33236
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: 1912264; SBI_ID: SBI-033240
Temperature 318 °C