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4-[(1-(2-chloro-6-fluorobenzyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(2-phenylethyl)cyclohexanecarboxamide
SpectraBase Compound ID cc3pdeHqC2
InChI InChI=1S/C31H31ClFN3O3/c32-26-10-6-11-27(33)25(26)20-35-28-12-5-4-9-24(28)30(38)36(31(35)39)19-22-13-15-23(16-14-22)29(37)34-18-17-21-7-2-1-3-8-21/h1-12,22-23H,13-20H2,(H,34,37)
InChIKey XOPKDMZRZFAUJY-UHFFFAOYSA-N
Mol Weight 548.06 g/mol
Molecular Formula C31H31ClFN3O3
Exact Mass 547.203798 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2XPuYLQzkJF
Name 4-[(1-(2-chloro-6-fluorobenzyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(2-phenylethyl)cyclohexanecarboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 547.203797730 u
Formula C31H31ClFN3O3
InChI InChI=1S/C31H31ClFN3O3/c32-26-10-6-11-27(33)25(26)20-35-28-12-5-4-9-24(28)30(38)36(31(35)39)19-22-13-15-23(16-14-22)29(37)34-18-17-21-7-2-1-3-8-21/h1-12,22-23H,13-20H2,(H,34,37)
InChIKey XOPKDMZRZFAUJY-UHFFFAOYSA-N
Molecular Weight 548.058 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8145
Solvent DMSO-d6
Source Vendor ID: NMR/13219145