| SpectraBase Compound ID | EluKkDllA2s |
|---|---|
| InChI | InChI=1S/C12H8O2S/c13-12-9-5-2-1-4-8(9)11(14-12)10-6-3-7-15-10/h1-7,11H |
| InChIKey | JXGGVKILPREQLK-UHFFFAOYSA-N |
| Mol Weight | 216.25 g/mol |
| Molecular Formula | C12H8O2S |
| Exact Mass | 216.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9kM0HblA3Q |
|---|---|
| Name | 3-Thiophen-2-yl-3H-isobenzofuran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.024500670 u |
| Formula | C12H8O2S |
| InChI | InChI=1S/C12H8O2S/c13-12-9-5-2-1-4-8(9)11(14-12)10-6-3-7-15-10/h1-7,11H |
| InChIKey | JXGGVKILPREQLK-UHFFFAOYSA-N |
| Molecular Weight | 216.254 g/mol |
| SMILES | C1=2C(OC(C2C=CC=C1)C=1SC=CC1)=O |