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4-[(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(4-methylbenzyl)benzamide

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4-[(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(4-methylbenzyl)benzamide
SpectraBase Compound ID BBkntLE1JaQ
InChI InChI=1S/C32H26ClFN4O4/c1-20-6-8-21(9-7-20)17-35-30(40)23-12-10-22(11-13-23)18-38-31(41)25-4-2-3-5-28(25)37(32(38)42)19-29(39)36-24-14-15-27(34)26(33)16-24/h2-16H,17-19H2,1H3,(H,35,40)(H,36,39)
InChIKey FMOPVJRUFYSYFO-UHFFFAOYSA-N
Mol Weight 585.0 g/mol
Molecular Formula C32H26ClFN4O4
Exact Mass 584.162661 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5x5wi6oIL7N
Name 4-[(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(4-methylbenzyl)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 584.162661192 u
Formula C32H26ClFN4O4
InChI InChI=1S/C32H26ClFN4O4/c1-20-6-8-21(9-7-20)17-35-30(40)23-12-10-22(11-13-23)18-38-31(41)25-4-2-3-5-28(25)37(32(38)42)19-29(39)36-24-14-15-27(34)26(33)16-24/h2-16H,17-19H2,1H3,(H,35,40)(H,36,39)
InChIKey FMOPVJRUFYSYFO-UHFFFAOYSA-N
Molecular Weight 585.035 g/mol
NMR Offset 17.9982
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9561
Solvent DMSO-d6
Source Vendor ID: NMR/13229466