![ethyl 4-{[(3-{4-[(2-chlorobenzyl)amino]-4-oxobutyl}-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl)acetyl]amino}benzoate](/api/spectrum/IS6RNTVXeTk/structure.png?h=300&w=458 "ethyl 4-{[(3-{4-[(2-chlorobenzyl)amino]-4-oxobutyl}-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl)acetyl]amino}benzoate")
| SpectraBase Compound ID | 7DOHeoyH22R |
|---|---|
| InChI | InChI=1S/C30H29ClN4O6/c1-2-41-29(39)20-13-15-22(16-14-20)33-27(37)19-35-25-11-6-4-9-23(25)28(38)34(30(35)40)17-7-12-26(36)32-18-21-8-3-5-10-24(21)31/h3-6,8-11,13-16H,2,7,12,17-19H2,1H3,(H,32,36)(H,33,37) |
| InChIKey | XTSUVWGXTATYNG-UHFFFAOYSA-N |
| Mol Weight | 577.04 g/mol |
| Molecular Formula | C30H29ClN4O6 |
| Exact Mass | 576.177562 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | IS6RNTVXeTk |
|---|---|
| Name | ethyl 4-{[(3-{4-[(2-chlorobenzyl)amino]-4-oxobutyl}-2,4-dioxo-3,4-dihydro-1(2H)-quinazolinyl)acetyl]amino}benzoate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 576.177562364 u |
| Formula | C30H29ClN4O6 |
| InChI | InChI=1S/C30H29ClN4O6/c1-2-41-29(39)20-13-15-22(16-14-20)33-27(37)19-35-25-11-6-4-9-23(25)28(38)34(30(35)40)17-7-12-26(36)32-18-21-8-3-5-10-24(21)31/h3-6,8-11,13-16H,2,7,12,17-19H2,1H3,(H,32,36)(H,33,37) |
| InChIKey | XTSUVWGXTATYNG-UHFFFAOYSA-N |
| Molecular Weight | 577.037 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7472 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13218267 |