![4-(6-chloro-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-furylmethyl)butanamide](/api/spectrum/4ZJCyW1Vphu/structure.png?h=300&w=458 "4-(6-chloro-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-furylmethyl)butanamide")
| SpectraBase Compound ID | BX9drUsngpJ |
|---|---|
| InChI | InChI=1S/C29H31ClN4O7/c1-39-24-10-7-19(15-25(24)40-2)11-12-31-27(36)18-34-23-9-8-20(30)16-22(23)28(37)33(29(34)38)13-3-6-26(35)32-17-21-5-4-14-41-21/h4-5,7-10,14-16H,3,6,11-13,17-18H2,1-2H3,(H,31,36)(H,32,35) |
| InChIKey | XAGJMOGFJQERML-UHFFFAOYSA-N |
| Mol Weight | 583.04 g/mol |
| Molecular Formula | C29H31ClN4O7 |
| Exact Mass | 582.188127 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4ZJCyW1Vphu |
|---|---|
| Name | 4-(6-chloro-1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-furylmethyl)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 | 582.188127047 u |
| Formula | C29H31ClN4O7 |
| InChI | InChI=1S/C29H31ClN4O7/c1-39-24-10-7-19(15-25(24)40-2)11-12-31-27(36)18-34-23-9-8-20(30)16-22(23)28(37)33(29(34)38)13-3-6-26(35)32-17-21-5-4-14-41-21/h4-5,7-10,14-16H,3,6,11-13,17-18H2,1-2H3,(H,31,36)(H,32,35) |
| InChIKey | XAGJMOGFJQERML-UHFFFAOYSA-N |
| Molecular Weight | 583.041 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_8131 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13219125 |