![N-(2-chlorobenzyl)-6-(1-(3-nitrobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/Es4MEj1URX2/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-(3-nitrobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | L0wXsjqR3TD |
|---|---|
| InChI | InChI=1S/C26H25ClN4O5S/c27-21-10-4-3-8-19(21)16-28-23(32)11-2-1-5-13-29-25(33)24-22(12-14-37-24)30(26(29)34)17-18-7-6-9-20(15-18)31(35)36/h3-4,6-10,12,14-15H,1-2,5,11,13,16-17H2,(H,28,32) |
| InChIKey | NIKUXKFSTNRNQP-UHFFFAOYSA-N |
| Mol Weight | 541.02 g/mol |
| Molecular Formula | C26H25ClN4O5S |
| Exact Mass | 540.123419 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Es4MEj1URX2 |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-(3-nitrobenzyl)-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 | 540.123418790 u |
| Formula | C26H25ClN4O5S |
| InChI | InChI=1S/C26H25ClN4O5S/c27-21-10-4-3-8-19(21)16-28-23(32)11-2-1-5-13-29-25(33)24-22(12-14-37-24)30(26(29)34)17-18-7-6-9-20(15-18)31(35)36/h3-4,6-10,12,14-15H,1-2,5,11,13,16-17H2,(H,28,32) |
| InChIKey | NIKUXKFSTNRNQP-UHFFFAOYSA-N |
| Molecular Weight | 541.022 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6769 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329116 |