| SpectraBase Compound ID | 6A39AorieK3 |
|---|---|
| InChI | InChI=1S/C14H12O2S/c1-16-14-5-3-2-4-11(14)6-7-13(15)12-8-9-17-10-12/h2-10H,1H3/b7-6+ |
| InChIKey | CVDQWXZLMYGWAT-VOTSOKGWSA-N |
| Mol Weight | 244.31 g/mol |
| Molecular Formula | C14H12O2S |
| Exact Mass | 244.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6vGOQ2T6eA |
|---|---|
| Name | 3-(2-Methoxy-phenyl)-1-thiophen-3-yl-propenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.055800798 u |
| Formula | C14H12O2S |
| InChI | InChI=1S/C14H12O2S/c1-16-14-5-3-2-4-11(14)6-7-13(15)12-8-9-17-10-12/h2-10H,1H3/b7-6+ |
| InChIKey | CVDQWXZLMYGWAT-VOTSOKGWSA-N |
| Molecular Weight | 244.308 g/mol |
| SMILES | C1(=C(C=CC=C1)OC)\C=C\C(C=1C=CSC1)=O |