![N-(2-chlorobenzyl)-5-(1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanamide](/api/spectrum/BvgbupnbEwv/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-5-(1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanamide")
| SpectraBase Compound ID | 9oqszVf8MqG |
|---|---|
| InChI | InChI=1S/C29H28Cl2N4O5/c1-40-25-14-13-20(16-23(25)31)33-27(37)18-35-24-11-5-3-9-21(24)28(38)34(29(35)39)15-7-6-12-26(36)32-17-19-8-2-4-10-22(19)30/h2-5,8-11,13-14,16H,6-7,12,15,17-18H2,1H3,(H,32,36)(H,33,37) |
| InChIKey | GRZAAGBPQXPRIY-UHFFFAOYSA-N |
| Mol Weight | 583.47 g/mol |
| Molecular Formula | C29H28Cl2N4O5 |
| Exact Mass | 582.143675 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | BvgbupnbEwv |
|---|---|
| Name | N-(2-chlorobenzyl)-5-(1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanamide |
| Copyright | Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 582.143675413 u |
| Formula | C29H28Cl2N4O5 |
| InChI | InChI=1S/C29H28Cl2N4O5/c1-40-25-14-13-20(16-23(25)31)33-27(37)18-35-24-11-5-3-9-21(24)28(38)34(29(35)39)15-7-6-12-26(36)32-17-19-8-2-4-10-22(19)30/h2-5,8-11,13-14,16H,6-7,12,15,17-18H2,1H3,(H,32,36)(H,33,37) |
| InChIKey | GRZAAGBPQXPRIY-UHFFFAOYSA-N |
| Molecular Weight | 583.472 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6487 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328670 |