![N-[2-(1-cyclohexen-1-yl)ethyl]-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide](/api/spectrum/59Tl3fF1LB2/structure.png?h=300&w=458 "N-[2-(1-cyclohexen-1-yl)ethyl]-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide")
| SpectraBase Compound ID | LQVJO8MytWV |
|---|---|
| InChI | InChI=1S/C26H33N3O3S2/c1-18(2)32-16-8-15-29-25(31)24-23(20-11-6-7-12-21(20)34-24)28-26(29)33-17-22(30)27-14-13-19-9-4-3-5-10-19/h6-7,9,11-12,18H,3-5,8,10,13-17H2,1-2H3,(H,27,30) |
| InChIKey | ZUGGGUSKMBQWBC-UHFFFAOYSA-N |
| Mol Weight | 499.7 g/mol |
| Molecular Formula | C26H33N3O3S2 |
| Exact Mass | 499.196334 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 59Tl3fF1LB2 |
|---|---|
| Name | N-[2-(1-cyclohexen-1-yl)ethyl]-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 499.196334280 u |
| Formula | C26H33N3O3S2 |
| InChI | InChI=1S/C26H33N3O3S2/c1-18(2)32-16-8-15-29-25(31)24-23(20-11-6-7-12-21(20)34-24)28-26(29)33-17-22(30)27-14-13-19-9-4-3-5-10-19/h6-7,9,11-12,18H,3-5,8,10,13-17H2,1-2H3,(H,27,30) |
| InChIKey | ZUGGGUSKMBQWBC-UHFFFAOYSA-N |
| Molecular Weight | 499.688 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6250 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328344 |