![4-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide](/api/spectrum/4gMEeh6pED2/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-(4-methylbenzyl)butanamide")
| SpectraBase Compound ID | 5F2kSQytTNj |
|---|---|
| InChI | InChI=1S/C30H36N4O4/c1-22-13-15-24(16-14-22)20-32-27(35)12-7-19-33-29(37)25-10-5-6-11-26(25)34(30(33)38)21-28(36)31-18-17-23-8-3-2-4-9-23/h5-6,8,10-11,13-16H,2-4,7,9,12,17-21H2,1H3,(H,31,36)(H,32,35) |
| InChIKey | BGHHNRJPRSYAPK-UHFFFAOYSA-N |
| Mol Weight | 516.6 g/mol |
| Molecular Formula | C30H36N4O4 |
| Exact Mass | 516.273656 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4gMEeh6pED2 |
|---|---|
| Name | 4-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-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 | 516.273655651 u |
| Formula | C30H36N4O4 |
| InChI | InChI=1S/C30H36N4O4/c1-22-13-15-24(16-14-22)20-32-27(35)12-7-19-33-29(37)25-10-5-6-11-26(25)34(30(33)38)21-28(36)31-18-17-23-8-3-2-4-9-23/h5-6,8,10-11,13-16H,2-4,7,9,12,17-21H2,1H3,(H,31,36)(H,32,35) |
| InChIKey | BGHHNRJPRSYAPK-UHFFFAOYSA-N |
| Molecular Weight | 516.642 g/mol |
| NMR Offset | 18.0012 |
| NMR Spectrometer Frequency | 500.136 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9504 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229401 |