| SpectraBase Compound ID | EkMh0eLc16r |
|---|---|
| InChI | InChI=1S/C13H18OS/c1-3-5-8-11(7-4-2)13(14)12-9-6-10-15-12/h4,6,9-11H,2-3,5,7-8H2,1H3/t11-/m0/s1 |
| InChIKey | UWWBEHITZBONSW-NSHDSACASA-N |
| Mol Weight | 222.35 g/mol |
| Molecular Formula | C13H18OS |
| Exact Mass | 222.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsqeKqIOISN |
|---|---|
| Name | (2R)-2-Butyl-1-(thien-2'-yl)pent-4-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.107836373 u |
| Formula | C13H18OS |
| InChI | InChI=1S/C13H18OS/c1-3-5-8-11(7-4-2)13(14)12-9-6-10-15-12/h4,6,9-11H,2-3,5,7-8H2,1H3/t11-/m0/s1 |
| InChIKey | UWWBEHITZBONSW-NSHDSACASA-N |
| Molecular Weight | 222.346 g/mol |
| SMILES | C=1(C(=O)[C@@](CC=C)(CCCC)[H])SC=CC1 |