| SpectraBase Compound ID | EYGUfFOau6T |
|---|---|
| InChI | InChI=1S/C10H14OS/c1-8(5-9(2)11)6-10-3-4-12-7-10/h3-4,7-8H,5-6H2,1-2H3 |
| InChIKey | BFZFSSRBKQBQNM-UHFFFAOYSA-N |
| Mol Weight | 182.28 g/mol |
| Molecular Formula | C10H14OS |
| Exact Mass | 182.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7h0bWa6NnsK |
|---|---|
| Name | 2-Pentanone, 4-methyl-5-(3-thienyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.076536244 u |
| Formula | C10H14OS |
| InChI | InChI=1S/C10H14OS/c1-8(5-9(2)11)6-10-3-4-12-7-10/h3-4,7-8H,5-6H2,1-2H3 |
| InChIKey | BFZFSSRBKQBQNM-UHFFFAOYSA-N |
| Molecular Weight | 182.281 g/mol |
| SMILES | C=1SC=CC1CC(CC(=O)C)C |