![4-(1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide](/api/spectrum/JpOsLKHX0VA/structure.png?h=300&w=458 "4-(1-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide")
| SpectraBase Compound ID | HqlsbpHpdWn |
|---|---|
| InChI | InChI=1S/C28H26Cl2N4O4/c1-18-8-10-19(11-9-18)16-31-25(35)7-4-14-33-27(37)21-5-2-3-6-24(21)34(28(33)38)17-26(36)32-23-15-20(29)12-13-22(23)30/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,31,35)(H,32,36) |
| InChIKey | PBOXXGQJHUSYHR-UHFFFAOYSA-N |
| Mol Weight | 553.45 g/mol |
| Molecular Formula | C28H26Cl2N4O4 |
| Exact Mass | 552.133111 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JpOsLKHX0VA |
|---|---|
| Name | 4-(1-[2-(2,5-dichloroanilino)-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 | 552.133110729 u |
| Formula | C28H26Cl2N4O4 |
| InChI | InChI=1S/C28H26Cl2N4O4/c1-18-8-10-19(11-9-18)16-31-25(35)7-4-14-33-27(37)21-5-2-3-6-24(21)34(28(33)38)17-26(36)32-23-15-20(29)12-13-22(23)30/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,31,35)(H,32,36) |
| InChIKey | PBOXXGQJHUSYHR-UHFFFAOYSA-N |
| Molecular Weight | 553.446 g/mol |
| NMR Offset | 17.9982 |
| NMR Spectrometer Frequency | 500.136 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9580 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229501 |