![N-(2-chlorobenzyl)-6-(1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/HcqUC1MrMsW/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 8sJifQSBVea |
|---|---|
| InChI | InChI=1S/C28H25Cl2F3N4O4S/c29-19-7-4-3-6-17(19)15-34-23(38)8-2-1-5-12-36-26(40)25-22(11-13-42-25)37(27(36)41)16-24(39)35-21-14-18(28(31,32)33)9-10-20(21)30/h3-4,6-7,9-11,13-14H,1-2,5,8,12,15-16H2,(H,34,38)(H,35,39) |
| InChIKey | CBPKGFDOZIRLFS-UHFFFAOYSA-N |
| Mol Weight | 641.49 g/mol |
| Molecular Formula | C28H25Cl2F3N4O4S |
| Exact Mass | 640.092566 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | HcqUC1MrMsW |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-{2-[2-chloro-5-(trifluoromethyl)anilino]-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 | 640.092566360 u |
| Formula | C28H25Cl2F3N4O4S |
| InChI | InChI=1S/C28H25Cl2F3N4O4S/c29-19-7-4-3-6-17(19)15-34-23(38)8-2-1-5-12-36-26(40)25-22(11-13-42-25)37(27(36)41)16-24(39)35-21-14-18(28(31,32)33)9-10-20(21)30/h3-4,6-7,9-11,13-14H,1-2,5,8,12,15-16H2,(H,34,38)(H,35,39) |
| InChIKey | CBPKGFDOZIRLFS-UHFFFAOYSA-N |
| Molecular Weight | 641.493 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7377 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13218156 |