| SpectraBase Compound ID | I4VlcIvWSq1 |
|---|---|
| InChI | InChI=1S/C9H12OS/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7H,2,5-6H2,1H3 |
| InChIKey | SJYDWTUGCAEBTP-UHFFFAOYSA-N |
| Mol Weight | 168.25 g/mol |
| Molecular Formula | C9H12OS |
| Exact Mass | 168.060886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HycD4wFSCJY |
|---|---|
| Name | 1-(2-Thienyl)pentan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.060886179 u |
| Formula | C9H12OS |
| InChI | InChI=1S/C9H12OS/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7H,2,5-6H2,1H3 |
| InChIKey | SJYDWTUGCAEBTP-UHFFFAOYSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | C=1(SC=CC1)CCC(=O)CC |