![N-(1,3-benzodioxol-5-ylmethyl)-6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-](/api/spectrum/6RV4lVXoda4/structure.png?h=300&w=458 "N-(1,3-benzodioxol-5-ylmethyl)-6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-")
| SpectraBase Compound ID | ERwcmpPlsb6 |
|---|---|
| InChI | InChI=1S/C30H36N4O6S/c35-26(32-18-22-10-11-24-25(17-22)40-20-39-24)9-5-2-6-15-33-29(37)28-23(13-16-41-28)34(30(33)38)19-27(36)31-14-12-21-7-3-1-4-8-21/h7,10-11,13,16-17H,1-6,8-9,12,14-15,18-20H2,(H,31,36)(H,32,35) |
| InChIKey | DDOOJCLWJOTSKM-UHFFFAOYSA-N |
| Mol Weight | 580.7 g/mol |
| Molecular Formula | C30H36N4O6S |
| Exact Mass | 580.235556 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 6RV4lVXoda4 |
|---|---|
| Name | N-(1,3-benzodioxol-5-ylmethyl)-6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 580.235556063 u |
| Formula | C30H36N4O6S |
| InChI | InChI=1S/C30H36N4O6S/c35-26(32-18-22-10-11-24-25(17-22)40-20-39-24)9-5-2-6-15-33-29(37)28-23(13-16-41-28)34(30(33)38)19-27(36)31-14-12-21-7-3-1-4-8-21/h7,10-11,13,16-17H,1-6,8-9,12,14-15,18-20H2,(H,31,36)(H,32,35) |
| InChIKey | DDOOJCLWJOTSKM-UHFFFAOYSA-N |
| Molecular Weight | 580.700 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6738 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329080 |