| SpectraBase Compound ID | KX12pRFJaAn |
|---|---|
| InChI | InChI=1S/C8H10OS/c1-7(5-9)4-8-2-3-10-6-8/h2-3,5-7H,4H2,1H3 |
| InChIKey | CCKLBEJOORARDV-UHFFFAOYSA-N |
| Mol Weight | 154.23 g/mol |
| Molecular Formula | C8H10OS |
| Exact Mass | 154.045236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITBq7gMdehr |
|---|---|
| Name | 2-Methyl-3-(3-thienyl)propanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.045236115 u |
| Formula | C8H10OS |
| InChI | InChI=1S/C8H10OS/c1-7(5-9)4-8-2-3-10-6-8/h2-3,5-7H,4H2,1H3 |
| InChIKey | CCKLBEJOORARDV-UHFFFAOYSA-N |
| Molecular Weight | 154.227 g/mol |
| SMILES | C=1SC=CC1CC(C=O)C |