| SpectraBase Compound ID | jbCkdTLqd |
|---|---|
| InChI | InChI=1S/C13H12OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2 |
| InChIKey | SWZHQIGKXCTPMK-UHFFFAOYSA-N |
| Mol Weight | 216.3 g/mol |
| Molecular Formula | C13H12OS |
| Exact Mass | 216.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OUNMkRDYfO |
|---|---|
| Name | 3-Phenyl-1-(2-thienyl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.060886179 u |
| Formula | C13H12OS |
| InChI | InChI=1S/C13H12OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2 |
| InChIKey | SWZHQIGKXCTPMK-UHFFFAOYSA-N |
| Molecular Weight | 216.298 g/mol |
| SMILES | C(CCC=1C=CC=CC1)(=O)C1=CC=CS1 |