![4-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide](/api/spectrum/8q0oDe2HZsu/structure.png?h=300&w=458 "4-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide")
| SpectraBase Compound ID | C8xI5pYxfK |
|---|---|
| InChI | InChI=1S/C29H29ClN4O4/c1-20-12-14-21(15-13-20)17-31-26(35)11-6-16-33-28(37)23-8-3-5-10-25(23)34(29(33)38)19-27(36)32-18-22-7-2-4-9-24(22)30/h2-5,7-10,12-15H,6,11,16-19H2,1H3,(H,31,35)(H,32,36) |
| InChIKey | NLWRMUPPZLXONK-UHFFFAOYSA-N |
| Mol Weight | 533.03 g/mol |
| Molecular Formula | C29H29ClN4O4 |
| Exact Mass | 532.187733 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 8q0oDe2HZsu |
|---|---|
| Name | 4-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)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 | 532.187733126 u |
| Formula | C29H29ClN4O4 |
| InChI | InChI=1S/C29H29ClN4O4/c1-20-12-14-21(15-13-20)17-31-26(35)11-6-16-33-28(37)23-8-3-5-10-25(23)34(29(33)38)19-27(36)32-18-22-7-2-4-9-24(22)30/h2-5,7-10,12-15H,6,11,16-19H2,1H3,(H,31,35)(H,32,36) |
| InChIKey | NLWRMUPPZLXONK-UHFFFAOYSA-N |
| Molecular Weight | 533.028 g/mol |
| NMR Offset | 18.0021 |
| NMR Spectrometer Frequency | 500.136 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9495 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229392 |