![1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one](/api/spectrum/EJH3OGFJGGh/structure.png?h=300&w=458 "1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one")
| SpectraBase Compound ID | IrAQJDBnBtq |
|---|---|
| InChI | InChI=1S/C14H12N2OS/c17-14-12-9-5-1-2-6-10(9)18-13(12)15-11-7-3-4-8-16(11)14/h3-4,7-8H,1-2,5-6H2 |
| InChIKey | FFUWEQUBGYFGGV-UHFFFAOYSA-N |
| Mol Weight | 256.32 g/mol |
| Molecular Formula | C14H12N2OS |
| Exact Mass | 256.067034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJH3OGFJGGh |
|---|---|
| Name | 1,2,3,4-Tetrahydro-12H-[1]benzothieno[2,3-D]pyrido[1,2-A]pyrimidin-12-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.067034187 u |
| Formula | C14H12N2OS |
| InChI | InChI=1S/C14H12N2OS/c17-14-12-9-5-1-2-6-10(9)18-13(12)15-11-7-3-4-8-16(11)14/h3-4,7-8H,1-2,5-6H2 |
| InChIKey | FFUWEQUBGYFGGV-UHFFFAOYSA-N |
| SMILES | C12=C(N=C3N(C2=O)C=CC=C3)SC2=C1CCCC2 |