| SpectraBase Compound ID | 3TqmZYAZXbi |
|---|---|
| InChI | InChI=1S/C13H18OS/c1-2-3-7-11-15(14)12-10-13-8-5-4-6-9-13/h4-6,8-10,12H,2-3,7,11H2,1H3/b12-10- |
| InChIKey | SKFJAOCPAWOFRC-BENRWUELSA-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 | An0CXkxIFU9 |
|---|---|
| Name | cis-Styryl pentyl sulfoxide |
| 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/c1-2-3-7-11-15(14)12-10-13-8-5-4-6-9-13/h4-6,8-10,12H,2-3,7,11H2,1H3/b12-10- |
| InChIKey | SKFJAOCPAWOFRC-BENRWUELSA-N |
| Molecular Weight | 222.346 g/mol |
| SMILES | C(S(\C=C/C1=CC=CC=C1)=O)CCCC |