![4-[(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(3-methoxypropyl)benzamide](/api/spectrum/DQC1yWm6heN/structure.png?h=300&w=458 "4-[(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(3-methoxypropyl)benzamide")
| SpectraBase Compound ID | KnzynD3OH2 |
|---|---|
| InChI | InChI=1S/C28H26ClFN4O5/c1-39-14-4-13-31-26(36)19-9-7-18(8-10-19)16-34-27(37)21-5-2-3-6-24(21)33(28(34)38)17-25(35)32-20-11-12-23(30)22(29)15-20/h2-3,5-12,15H,4,13-14,16-17H2,1H3,(H,31,36)(H,32,35) |
| InChIKey | NEKHYBZLKUNMEZ-UHFFFAOYSA-N |
| Mol Weight | 552.99 g/mol |
| Molecular Formula | C28H26ClFN4O5 |
| Exact Mass | 552.157576 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DQC1yWm6heN |
|---|---|
| Name | 4-[(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(3-methoxypropyl)benzamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 552.157575811 u |
| Formula | C28H26ClFN4O5 |
| InChI | InChI=1S/C28H26ClFN4O5/c1-39-14-4-13-31-26(36)19-9-7-18(8-10-19)16-34-27(37)21-5-2-3-6-24(21)33(28(34)38)17-25(35)32-20-11-12-23(30)22(29)15-20/h2-3,5-12,15H,4,13-14,16-17H2,1H3,(H,31,36)(H,32,35) |
| InChIKey | NEKHYBZLKUNMEZ-UHFFFAOYSA-N |
| Molecular Weight | 552.990 g/mol |
| NMR Offset | 17.999 |
| NMR Spectrometer Frequency | 500.136 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9529 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229431 |