![4-(6-chloro-1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-furylmethyl)butanamide](/api/spectrum/5V6HXIGL2Yb/structure.png?h=300&w=458 "4-(6-chloro-1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-furylmethyl)butanamide")
| SpectraBase Compound ID | BWc3dKR8Pkb |
|---|---|
| InChI | InChI=1S/C25H22ClFN4O5/c26-16-8-9-21-20(12-16)24(34)30(10-2-7-22(32)28-14-19-6-3-11-36-19)25(35)31(21)15-23(33)29-18-5-1-4-17(27)13-18/h1,3-6,8-9,11-13H,2,7,10,14-15H2,(H,28,32)(H,29,33) |
| InChIKey | WOQQBNWOOMIDSU-UHFFFAOYSA-N |
| Mol Weight | 512.93 g/mol |
| Molecular Formula | C25H22ClFN4O5 |
| Exact Mass | 512.126276 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5V6HXIGL2Yb |
|---|---|
| Name | 4-(6-chloro-1-[2-(3-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-furylmethyl)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 | 512.126275682 u |
| Formula | C25H22ClFN4O5 |
| InChI | InChI=1S/C25H22ClFN4O5/c26-16-8-9-21-20(12-16)24(34)30(10-2-7-22(32)28-14-19-6-3-11-36-19)25(35)31(21)15-23(33)29-18-5-1-4-17(27)13-18/h1,3-6,8-9,11-13H,2,7,10,14-15H2,(H,28,32)(H,29,33) |
| InChIKey | WOQQBNWOOMIDSU-UHFFFAOYSA-N |
| Molecular Weight | 512.925 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_8127 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13219121 |