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dimethyl 5-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)isophthalate
SpectraBase Compound ID AEUqZaTEwZ7
InChI InChI=1S/C21H18ClN3O5/c1-29-20(27)15-7-16(21(28)30-2)9-18(8-15)24-19(26)14-5-3-13(4-6-14)11-25-12-17(22)10-23-25/h3-10,12H,11H2,1-2H3,(H,24,26)
InChIKey ITJOFQQPVLMTNV-UHFFFAOYSA-N
Mol Weight 427.84 g/mol
Molecular Formula C21H18ClN3O5
Exact Mass 427.093498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CWzW5W0acSw
Name dimethyl 5-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)isophthalate
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/C21H18ClN3O5/c1-29-20(27)15-7-16(21(28)30-2)9-18(8-15)24-19(26)14-5-3-13(4-6-14)11-25-12-17(22)10-23-25/h3-10,12H,11H2,1-2H3,(H,24,26)
InChIKey ITJOFQQPVLMTNV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4654
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/9099019; Labnumber: BIUS-619946; UZI_ID: UZI-004656
Temperature 308 °C