![5-(1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-phenylethyl)pentanamide](/api/spectrum/KjNiFjp3MtE/structure.png?h=300&w=458 "5-(1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-phenylethyl)pentanamide")
| SpectraBase Compound ID | A7jDwIqI77i |
|---|---|
| InChI | InChI=1S/C29H28BrFN4O4/c30-21-13-14-24(23(31)18-21)33-27(37)19-35-25-11-5-4-10-22(25)28(38)34(29(35)39)17-7-6-12-26(36)32-16-15-20-8-2-1-3-9-20/h1-5,8-11,13-14,18H,6-7,12,15-17,19H2,(H,32,36)(H,33,37) |
| InChIKey | MDLPODWNMJOXOC-UHFFFAOYSA-N |
| Mol Weight | 595.47 g/mol |
| Molecular Formula | C29H28BrFN4O4 |
| Exact Mass | 594.127797 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | KjNiFjp3MtE |
|---|---|
| Name | 5-(1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-phenylethyl)pentanamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 594.127796557 u |
| Formula | C29H28BrFN4O4 |
| InChI | InChI=1S/C29H28BrFN4O4/c30-21-13-14-24(23(31)18-21)33-27(37)19-35-25-11-5-4-10-22(25)28(38)34(29(35)39)17-7-6-12-26(36)32-16-15-20-8-2-1-3-9-20/h1-5,8-11,13-14,18H,6-7,12,15-17,19H2,(H,32,36)(H,33,37) |
| InChIKey | MDLPODWNMJOXOC-UHFFFAOYSA-N |
| Molecular Weight | 595.469 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7424 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13218208 |