![3-(4-Bromophenyl)-5-phenyl-4,5-dihydrothieno[2,3-D]pyrimidin-4-one](/api/spectrum/L51LiZ59RsD/structure.png?h=300&w=458 "3-(4-Bromophenyl)-5-phenyl-4,5-dihydrothieno[2,3-D]pyrimidin-4-one")
| SpectraBase Compound ID | JvO71hq5Hqw |
|---|---|
| InChI | InChI=1S/C18H11BrN2OS/c19-13-8-6-12(7-9-13)15-10-23-17-16(15)18(22)21(11-20-17)14-4-2-1-3-5-14/h1-11H |
| InChIKey | YNPJWAYRDDIFNO-UHFFFAOYSA-N |
| Mol Weight | 383.26 g/mol |
| Molecular Formula | C18H11BrN2OS |
| Exact Mass | 381.977547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L51LiZ59RsD |
|---|---|
| Name | 3-(4-Bromophenyl)-5-phenyl-4,5-dihydrothieno[2,3-D]pyrimidin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.977547155 u |
| Formula | C18H11BrN2OS |
| InChI | InChI=1S/C18H11BrN2OS/c19-13-8-6-12(7-9-13)15-10-23-17-16(15)18(22)21(11-20-17)14-4-2-1-3-5-14/h1-11H |
| InChIKey | YNPJWAYRDDIFNO-UHFFFAOYSA-N |
| Molecular Weight | 383.263 g/mol |
| SMILES | C=12C(N(c3ccccc3)C=NC1SC=C2c1ccc(cc1)Br)=O |