| SpectraBase Compound ID | HuCb0KhWbgT |
|---|---|
| InChI | InChI=1S/C10H8OS/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIKey | OLIOCSGFEZVCDZ-UHFFFAOYSA-N |
| Mol Weight | 176.23 g/mol |
| Molecular Formula | C10H8OS |
| Exact Mass | 176.029586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DygkfDXxZ8I |
|---|---|
| Name | 5-(Phenyl)thiophen-3(2H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.029586051 u |
| Formula | C10H8OS |
| InChI | InChI=1S/C10H8OS/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIKey | OLIOCSGFEZVCDZ-UHFFFAOYSA-N |
| Molecular Weight | 176.233 g/mol |
| SMILES | C1(=CC(=O)CS1)C=1C=CC=CC1 |