![4-[(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(2-phenylethyl)cyclohexanecarboxamide](/api/spectrum/7JCvPBn8cJK/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-(2-phenylethyl)cyclohexanecarboxamide")
| SpectraBase Compound ID | 3JzlC0lMOrj |
|---|---|
| InChI | InChI=1S/C32H32ClFN4O4/c33-26-18-24(14-15-27(26)34)36-29(39)20-37-28-9-5-4-8-25(28)31(41)38(32(37)42)19-22-10-12-23(13-11-22)30(40)35-17-16-21-6-2-1-3-7-21/h1-9,14-15,18,22-23H,10-13,16-17,19-20H2,(H,35,40)(H,36,39) |
| InChIKey | LLHFVSYTXHITFO-UHFFFAOYSA-N |
| Mol Weight | 591.1 g/mol |
| Molecular Formula | C32H32ClFN4O4 |
| Exact Mass | 590.209611 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7JCvPBn8cJK |
|---|---|
| Name | 4-[(1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-(2-phenylethyl)cyclohexanecarboxamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 590.209611385 u |
| Formula | C32H32ClFN4O4 |
| InChI | InChI=1S/C32H32ClFN4O4/c33-26-18-24(14-15-27(26)34)36-29(39)20-37-28-9-5-4-8-25(28)31(41)38(32(37)42)19-22-10-12-23(13-11-22)30(40)35-17-16-21-6-2-1-3-7-21/h1-9,14-15,18,22-23H,10-13,16-17,19-20H2,(H,35,40)(H,36,39) |
| InChIKey | LLHFVSYTXHITFO-UHFFFAOYSA-N |
| Molecular Weight | 591.083 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_8340 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13219470 |