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4-[(1-(2-chloro-4-fluorobenzyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(4-methylbenzyl)benzamide
SpectraBase Compound ID 4Ts8h2Wst7m
InChI InChI=1S/C31H25ClFN3O3/c1-20-6-8-21(9-7-20)17-34-29(37)23-12-10-22(11-13-23)18-36-30(38)26-4-2-3-5-28(26)35(31(36)39)19-24-14-15-25(33)16-27(24)32/h2-16H,17-19H2,1H3,(H,34,37)
InChIKey HGGXKEYHNVRSDZ-UHFFFAOYSA-N
Mol Weight 542.01 g/mol
Molecular Formula C31H25ClFN3O3
Exact Mass 541.156848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GCu1LFQNMIj
Name 4-[(1-(2-chloro-4-fluorobenzyl)-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 541.156847537 u
Formula C31H25ClFN3O3
InChI InChI=1S/C31H25ClFN3O3/c1-20-6-8-21(9-7-20)17-34-29(37)23-12-10-22(11-13-23)18-36-30(38)26-4-2-3-5-28(26)35(31(36)39)19-24-14-15-25(33)16-27(24)32/h2-16H,17-19H2,1H3,(H,34,37)
InChIKey HGGXKEYHNVRSDZ-UHFFFAOYSA-N
Molecular Weight 542.010 g/mol
NMR Offset 17.9977
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9552
Solvent DMSO-d6
Source Vendor ID: NMR/13229454