![N-(2-chlorobenzyl)-4-(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)butanamide](/api/spectrum/4eH1WOtwenz/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-4-(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)butanamide")
| SpectraBase Compound ID | 2DtYjKk6Yhx |
|---|---|
| InChI | InChI=1S/C27H23Cl2FN4O4/c28-20-8-3-1-6-17(20)15-31-24(35)10-5-13-33-26(37)19-7-2-4-9-23(19)34(27(33)38)16-25(36)32-18-11-12-22(30)21(29)14-18/h1-4,6-9,11-12,14H,5,10,13,15-16H2,(H,31,35)(H,32,36) |
| InChIKey | XSTBKAIHCCDCGN-UHFFFAOYSA-N |
| Mol Weight | 557.41 g/mol |
| Molecular Formula | C27H23Cl2FN4O4 |
| Exact Mass | 556.108039 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4eH1WOtwenz |
|---|---|
| Name | N-(2-chlorobenzyl)-4-(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)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 | 556.108038796 u |
| Formula | C27H23Cl2FN4O4 |
| InChI | InChI=1S/C27H23Cl2FN4O4/c28-20-8-3-1-6-17(20)15-31-24(35)10-5-13-33-26(37)19-7-2-4-9-23(19)34(27(33)38)16-25(36)32-18-11-12-22(30)21(29)14-18/h1-4,6-9,11-12,14H,5,10,13,15-16H2,(H,31,35)(H,32,36) |
| InChIKey | XSTBKAIHCCDCGN-UHFFFAOYSA-N |
| Molecular Weight | 557.409 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7471 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13218266 |