![4-(1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide](/api/spectrum/1P53PTlgcXa/structure.png?h=300&w=458 "4-(1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide")
| SpectraBase Compound ID | E8jfrkpq3yy |
|---|---|
| InChI | InChI=1S/C29H29BrN4O4/c1-19-9-11-21(12-10-19)17-31-26(35)8-5-15-33-28(37)23-6-3-4-7-25(23)34(29(33)38)18-27(36)32-22-13-14-24(30)20(2)16-22/h3-4,6-7,9-14,16H,5,8,15,17-18H2,1-2H3,(H,31,35)(H,32,36) |
| InChIKey | YWJNBGYRIJTXON-UHFFFAOYSA-N |
| Mol Weight | 577.48 g/mol |
| Molecular Formula | C29H29BrN4O4 |
| Exact Mass | 576.137218 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 1P53PTlgcXa |
|---|---|
| Name | 4-(1-[2-(4-bromo-3-methylanilino)-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 | 576.137218426 u |
| Formula | C29H29BrN4O4 |
| InChI | InChI=1S/C29H29BrN4O4/c1-19-9-11-21(12-10-19)17-31-26(35)8-5-15-33-28(37)23-6-3-4-7-25(23)34(29(33)38)18-27(36)32-22-13-14-24(30)20(2)16-22/h3-4,6-7,9-14,16H,5,8,15,17-18H2,1-2H3,(H,31,35)(H,32,36) |
| InChIKey | YWJNBGYRIJTXON-UHFFFAOYSA-N |
| Molecular Weight | 577.479 g/mol |
| NMR Offset | 17.9984 |
| NMR Spectrometer Frequency | 500.136 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9525 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229427 |