![4-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-[2-(4-methylphenyl)ethyl]butanamide](/api/spectrum/F4yGDSeFZCi/structure.png?h=300&w=458 "4-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-[2-(4-methylphenyl)ethyl]butanamide")
| SpectraBase Compound ID | IKzR6QBOnaG |
|---|---|
| InChI | InChI=1S/C31H38N4O4/c1-23-13-15-25(16-14-23)18-19-32-28(36)12-7-21-34-30(38)26-10-5-6-11-27(26)35(31(34)39)22-29(37)33-20-17-24-8-3-2-4-9-24/h5-6,8,10-11,13-16H,2-4,7,9,12,17-22H2,1H3,(H,32,36)(H,33,37) |
| InChIKey | KITBFTAPSFDSJU-UHFFFAOYSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C31H38N4O4 |
| Exact Mass | 530.289306 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | F4yGDSeFZCi |
|---|---|
| Name | 4-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-[2-(4-methylphenyl)ethyl]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 | 530.289305716 u |
| Formula | C31H38N4O4 |
| InChI | InChI=1S/C31H38N4O4/c1-23-13-15-25(16-14-23)18-19-32-28(36)12-7-21-34-30(38)26-10-5-6-11-27(26)35(31(34)39)22-29(37)33-20-17-24-8-3-2-4-9-24/h5-6,8,10-11,13-16H,2-4,7,9,12,17-22H2,1H3,(H,32,36)(H,33,37) |
| InChIKey | KITBFTAPSFDSJU-UHFFFAOYSA-N |
| Molecular Weight | 530.669 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6042 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328075 |