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isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate
SpectraBase Compound ID 2094F5YU9yI
InChI InChI=1S/C21H20ClN3O3/c1-14(2)28-21(27)17-7-9-19(10-8-17)24-20(26)16-5-3-15(4-6-16)12-25-13-18(22)11-23-25/h3-11,13-14H,12H2,1-2H3,(H,24,26)
InChIKey ILLGHCDXBCXBAO-UHFFFAOYSA-N
Mol Weight 397.86 g/mol
Molecular Formula C21H20ClN3O3
Exact Mass 397.119319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1QEHZaRVOLY
Name isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate
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/C21H20ClN3O3/c1-14(2)28-21(27)17-7-9-19(10-8-17)24-20(26)16-5-3-15(4-6-16)12-25-13-18(22)11-23-25/h3-11,13-14H,12H2,1-2H3,(H,24,26)
InChIKey ILLGHCDXBCXBAO-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4225
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: 9126824; UBI_ID: UBI-004226
Temperature 313 °C