| SpectraBase Compound ID | LI6A4c3TNaj |
|---|---|
| InChI | InChI=1S/C15H22S/c1-2-3-4-8-13-16-14-9-12-15-10-6-5-7-11-15/h5-7,9-12H,2-4,8,13-14H2,1H3/b12-9+ |
| InChIKey | PYHLKMWWNUGGCW-FMIVXFBMSA-N |
| Mol Weight | 234.4 g/mol |
| Molecular Formula | C15H22S |
| Exact Mass | 234.144222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2T5ZvO9tlYk |
|---|---|
| Name | Trans-cinnamyl hexyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.144221882 u |
| Formula | C15H22S |
| InChI | InChI=1S/C15H22S/c1-2-3-4-8-13-16-14-9-12-15-10-6-5-7-11-15/h5-7,9-12H,2-4,8,13-14H2,1H3/b12-9+ |
| InChIKey | PYHLKMWWNUGGCW-FMIVXFBMSA-N |
| Molecular Weight | 234.401 g/mol |
| SMILES | C(SC\C=C\C=1C=CC=CC1)CCCCC |