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4-[(1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(2-chlorobenzyl)benzamide
SpectraBase Compound ID JaNMNGziBQL
InChI InChI=1S/C31H24Cl2N4O4/c32-23-7-5-8-24(16-23)35-28(38)19-36-27-11-4-2-9-25(27)30(40)37(31(36)41)18-20-12-14-21(15-13-20)29(39)34-17-22-6-1-3-10-26(22)33/h1-16H,17-19H2,(H,34,39)(H,35,38)
InChIKey PDUNLERSLBSJDO-UHFFFAOYSA-N
Mol Weight 587.46 g/mol
Molecular Formula C31H24Cl2N4O4
Exact Mass 586.117461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ac9CiCOsiiF
Name 4-[(1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(2-chlorobenzyl)benzamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 586.117460665 u
Formula C31H24Cl2N4O4
InChI InChI=1S/C31H24Cl2N4O4/c32-23-7-5-8-24(16-23)35-28(38)19-36-27-11-4-2-9-25(27)30(40)37(31(36)41)18-20-12-14-21(15-13-20)29(39)34-17-22-6-1-3-10-26(22)33/h1-16H,17-19H2,(H,34,39)(H,35,38)
InChIKey PDUNLERSLBSJDO-UHFFFAOYSA-N
Molecular Weight 587.463 g/mol
NMR Offset 17.9982
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9572
Solvent DMSO-d6
Source Vendor ID: NMR/13229485