![6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-phenylhexanamide](/api/spectrum/88928XmW6Hd/structure.png?h=300&w=458 "6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-phenylhexanamide")
| SpectraBase Compound ID | Ac56KZ1hfFC |
|---|---|
| InChI | InChI=1S/C28H34N4O4S/c33-24(30-22-12-6-2-7-13-22)14-8-3-9-18-31-27(35)26-23(16-19-37-26)32(28(31)36)20-25(34)29-17-15-21-10-4-1-5-11-21/h2,6-7,10,12-13,16,19H,1,3-5,8-9,11,14-15,17-18,20H2,(H,29,34)(H,30,33) |
| InChIKey | VAAZYRLJJCATHR-UHFFFAOYSA-N |
| Mol Weight | 522.7 g/mol |
| Molecular Formula | C28H34N4O4S |
| Exact Mass | 522.230077 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 88928XmW6Hd |
|---|---|
| Name | 6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-phenylhexanamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.230076761 u |
| Formula | C28H34N4O4S |
| InChI | InChI=1S/C28H34N4O4S/c33-24(30-22-12-6-2-7-13-22)14-8-3-9-18-31-27(35)26-23(16-19-37-26)32(28(31)36)20-25(34)29-17-15-21-10-4-1-5-11-21/h2,6-7,10,12-13,16,19H,1,3-5,8-9,11,14-15,17-18,20H2,(H,29,34)(H,30,33) |
| InChIKey | VAAZYRLJJCATHR-UHFFFAOYSA-N |
| Molecular Weight | 522.664 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6759 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329104 |