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 |