![4-(2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide](/api/spectrum/3TR0n79fHgY/structure.png?h=300&w=458 "4-(2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide")
| SpectraBase Compound ID | Aa7iVnmuabz |
|---|---|
| InChI | InChI=1S/C29H27F3N4O4/c1-19-11-13-20(14-12-19)17-33-25(37)10-5-15-35-27(39)23-8-2-3-9-24(23)36(28(35)40)18-26(38)34-22-7-4-6-21(16-22)29(30,31)32/h2-4,6-9,11-14,16H,5,10,15,17-18H2,1H3,(H,33,37)(H,34,38) |
| InChIKey | HFZXSOBKOAZBCD-UHFFFAOYSA-N |
| Mol Weight | 552.55 g/mol |
| Molecular Formula | C29H27F3N4O4 |
| Exact Mass | 552.19844 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 3TR0n79fHgY |
|---|---|
| Name | 4-(2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-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 | 552.198439850 u |
| Formula | C29H27F3N4O4 |
| InChI | InChI=1S/C29H27F3N4O4/c1-19-11-13-20(14-12-19)17-33-25(37)10-5-15-35-27(39)23-8-2-3-9-24(23)36(28(35)40)18-26(38)34-22-7-4-6-21(16-22)29(30,31)32/h2-4,6-9,11-14,16H,5,10,15,17-18H2,1H3,(H,33,37)(H,34,38) |
| InChIKey | HFZXSOBKOAZBCD-UHFFFAOYSA-N |
| Molecular Weight | 552.554 g/mol |
| NMR Offset | 18.0007 |
| NMR Spectrometer Frequency | 500.136 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9490 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229387 |