| SpectraBase Compound ID | 88WKISwOAbe |
|---|---|
| InChI | InChI=1S/C20H14O2S/c21-19(15-8-3-1-4-9-15)18(14-17-12-7-13-23-17)20(22)16-10-5-2-6-11-16/h1-14H |
| InChIKey | YIDQAJWNBWJRPK-UHFFFAOYSA-N |
| Mol Weight | 318.39 g/mol |
| Molecular Formula | C20H14O2S |
| Exact Mass | 318.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPEoxupcmJs |
|---|---|
| Name | 1,3-Diphenyl-2-(thiophen-2-ylmethylene)propane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.071450863 u |
| Formula | C20H14O2S |
| InChI | InChI=1S/C20H14O2S/c21-19(15-8-3-1-4-9-15)18(14-17-12-7-13-23-17)20(22)16-10-5-2-6-11-16/h1-14H |
| InChIKey | YIDQAJWNBWJRPK-UHFFFAOYSA-N |
| Molecular Weight | 318.390 g/mol |
| SMILES | C=1C=C(C(C(C(=O)C2=CC=CC=C2)=CC2=CC=CS2)=O)C=CC1 |