![N-(2-chlorobenzyl)-6-(1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/GYqq4ZhzOSp/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 1MjKpVhy4Vl |
|---|---|
| InChI | InChI=1S/C25H30ClN3O4S/c1-25(2,3)20(30)16-29-19-12-14-34-22(19)23(32)28(24(29)33)13-8-4-5-11-21(31)27-15-17-9-6-7-10-18(17)26/h6-7,9-10,12,14H,4-5,8,11,13,15-16H2,1-3H3,(H,27,31) |
| InChIKey | QXTIKGLDDATMNJ-UHFFFAOYSA-N |
| Mol Weight | 504.05 g/mol |
| Molecular Formula | C25H30ClN3O4S |
| Exact Mass | 503.164555 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | GYqq4ZhzOSp |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-(3,3-dimethyl-2-oxobutyl)-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 | 503.164555328 u |
| Formula | C25H30ClN3O4S |
| InChI | InChI=1S/C25H30ClN3O4S/c1-25(2,3)20(30)16-29-19-12-14-34-22(19)23(32)28(24(29)33)13-8-4-5-11-21(31)27-15-17-9-6-7-10-18(17)26/h6-7,9-10,12,14H,4-5,8,11,13,15-16H2,1-3H3,(H,27,31) |
| InChIKey | QXTIKGLDDATMNJ-UHFFFAOYSA-N |
| Molecular Weight | 504.045 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5996 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328019 |