![N-(2-chlorobenzyl)-6-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/DL8TsyqBdZL/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 1qGMcZ8jjOa |
|---|---|
| InChI | InChI=1S/C28H28Cl2N4O4S/c29-21-10-5-3-8-19(21)16-31-24(35)12-2-1-7-14-33-27(37)26-23(13-15-39-26)34(28(33)38)18-25(36)32-17-20-9-4-6-11-22(20)30/h3-6,8-11,13,15H,1-2,7,12,14,16-18H2,(H,31,35)(H,32,36) |
| InChIKey | YOTRFKPYLYVFJT-UHFFFAOYSA-N |
| Mol Weight | 587.52 g/mol |
| Molecular Formula | C28H28Cl2N4O4S |
| Exact Mass | 586.120832 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DL8TsyqBdZL |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 586.120831968 u |
| Formula | C28H28Cl2N4O4S |
| InChI | InChI=1S/C28H28Cl2N4O4S/c29-21-10-5-3-8-19(21)16-31-24(35)12-2-1-7-14-33-27(37)26-23(13-15-39-26)34(28(33)38)18-25(36)32-17-20-9-4-6-11-22(20)30/h3-6,8-11,13,15H,1-2,7,12,14,16-18H2,(H,31,35)(H,32,36) |
| InChIKey | YOTRFKPYLYVFJT-UHFFFAOYSA-N |
| Molecular Weight | 587.522 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6342 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328501 |