| SpectraBase Compound ID | 41xJdqw2tb4 |
|---|---|
| InChI | InChI=1S/C13H14OS/c1-13(2,3)8-11-12(14)9-6-4-5-7-10(9)15-11/h4-8H,1-3H3/b11-8- |
| InChIKey | MUINFTUWPVZZHV-FLIBITNWSA-N |
| Mol Weight | 218.31 g/mol |
| Molecular Formula | C13H14OS |
| Exact Mass | 218.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3r4gJB8mu1M |
|---|---|
| Name | (2Z)-2-(2,2-Dimethylpropylidene)-1-benzothiophen-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.076536244 u |
| Formula | C13H14OS |
| InChI | InChI=1S/C13H14OS/c1-13(2,3)8-11-12(14)9-6-4-5-7-10(9)15-11/h4-8H,1-3H3/b11-8- |
| InChIKey | MUINFTUWPVZZHV-FLIBITNWSA-N |
| Molecular Weight | 218.314 g/mol |
| SMILES | C1=2S\C(C(C1=CC=CC2)=O)=C\C(C)(C)C |