SpectraBase Compound ID | CLMiHI9pOKu |
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InChI | InChI=1S/C28H27ClN4O5/c1-38-21-14-12-20(13-15-21)31-26(35)18-33-24-10-5-3-8-22(24)27(36)32(28(33)37)16-6-11-25(34)30-17-19-7-2-4-9-23(19)29/h2-5,7-10,12-15H,6,11,16-18H2,1H3,(H,30,34)(H,31,35) |
InChIKey | NSIOTQIPPGORRZ-UHFFFAOYSA-N |
Mol Weight | 535.0 g/mol |
Molecular Formula | C28H27ClN4O5 |
Exact Mass | 534.166998 g/mol |
SpectraBase Spectrum ID | LnR1CwoqCM1 |
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Name | N-(2-chlorobenzyl)-4-(1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)butanamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 534.166997680 u |
Formula | C28H27ClN4O5 |
InChI | InChI=1S/C28H27ClN4O5/c1-38-21-14-12-20(13-15-21)31-26(35)18-33-24-10-5-3-8-22(24)27(36)32(28(33)37)16-6-11-25(34)30-17-19-7-2-4-9-23(19)29/h2-5,7-10,12-15H,6,11,16-18H2,1H3,(H,30,34)(H,31,35) |
InChIKey | NSIOTQIPPGORRZ-UHFFFAOYSA-N |
Molecular Weight | 535.000 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_7469 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13218264 |