![3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione](/api/spectrum/H7SKQHu8CmA/structure.png?h=300&w=458 "3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione")
| SpectraBase Compound ID | 5FH1yDlDHnI |
|---|---|
| InChI | InChI=1S/C16H14N2O2S/c19-15-13-11-8-4-5-9-12(11)21-14(13)17-16(20)18(15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,20) |
| InChIKey | AWIDMARRIHALJP-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H14N2O2S |
| Exact Mass | 298.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7SKQHu8CmA |
|---|---|
| Name | 3-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidine-2,4(1H,3H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.077598871 u |
| Formula | C16H14N2O2S |
| InChI | InChI=1S/C16H14N2O2S/c19-15-13-11-8-4-5-9-12(11)21-14(13)17-16(20)18(15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,20) |
| InChIKey | AWIDMARRIHALJP-UHFFFAOYSA-N |
| SMILES | N1C(N(C(C2=C1SC1=C2CCCC1)=O)C1=CC=CC=C1)=O |