![4-(1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide](/api/spectrum/oLpSC4hIq6/structure.png?h=300&w=458 "4-(1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide")
| SpectraBase Compound ID | Ctm3vQ6XtcX |
|---|---|
| InChI | InChI=1S/C30H31ClN4O6/c1-19-10-12-20(13-11-19)17-32-27(36)9-6-14-34-29(38)21-7-4-5-8-24(21)35(30(34)39)18-28(37)33-23-15-22(31)25(40-2)16-26(23)41-3/h4-5,7-8,10-13,15-16H,6,9,14,17-18H2,1-3H3,(H,32,36)(H,33,37) |
| InChIKey | HMMGURJUPGNSMB-UHFFFAOYSA-N |
| Mol Weight | 579.05 g/mol |
| Molecular Formula | C30H31ClN4O6 |
| Exact Mass | 578.193212 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | oLpSC4hIq6 |
|---|---|
| Name | 4-(1-[2-(5-chloro-2,4-dimethoxyanilino)-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 | 578.193212428 u |
| Formula | C30H31ClN4O6 |
| InChI | InChI=1S/C30H31ClN4O6/c1-19-10-12-20(13-11-19)17-32-27(36)9-6-14-34-29(38)21-7-4-5-8-24(21)35(30(34)39)18-28(37)33-23-15-22(31)25(40-2)16-26(23)41-3/h4-5,7-8,10-13,15-16H,6,9,14,17-18H2,1-3H3,(H,32,36)(H,33,37) |
| InChIKey | HMMGURJUPGNSMB-UHFFFAOYSA-N |
| Molecular Weight | 579.053 g/mol |
| NMR Offset | 17.9985 |
| NMR Spectrometer Frequency | 500.136 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9523 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229425 |