SpectraBase Compound ID | Ln3HsCIi3O4 |
---|---|
InChI | InChI=1S/C29H29ClN4O6/c1-39-20-13-14-23(25(16-20)40-2)32-27(36)18-34-24-11-6-4-9-21(24)28(37)33(29(34)38)15-7-12-26(35)31-17-19-8-3-5-10-22(19)30/h3-6,8-11,13-14,16H,7,12,15,17-18H2,1-2H3,(H,31,35)(H,32,36) |
InChIKey | NBLDNQMLVASYOB-UHFFFAOYSA-N |
Mol Weight | 565.03 g/mol |
Molecular Formula | C29H29ClN4O6 |
Exact Mass | 564.177562 g/mol |
SpectraBase Spectrum ID | Iz64RCnaZq7 |
---|---|
Name | N-(2-chlorobenzyl)-4-(1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)butanamide |
Copyright | Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 564.177562364 u |
Formula | C29H29ClN4O6 |
InChI | InChI=1S/C29H29ClN4O6/c1-39-20-13-14-23(25(16-20)40-2)32-27(36)18-34-24-11-6-4-9-21(24)28(37)33(29(34)38)15-7-12-26(35)31-17-19-8-3-5-10-22(19)30/h3-6,8-11,13-14,16H,7,12,15,17-18H2,1-2H3,(H,31,35)(H,32,36) |
InChIKey | NBLDNQMLVASYOB-UHFFFAOYSA-N |
Molecular Weight | 565.026 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_7476 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13218271 |