| SpectraBase Compound ID | KsPi0ZG6fQn |
|---|---|
| InChI | InChI=1S/C14H19ClO2S/c1-2-3-4-6-9-13(15)12-18(16,17)14-10-7-5-8-11-14/h5,7-8,10-12H,2-4,6,9H2,1H3 |
| InChIKey | PHZSQTYYPKZRNF-UHFFFAOYSA-N |
| Mol Weight | 286.82 g/mol |
| Molecular Formula | C14H19ClO2S |
| Exact Mass | 286.079429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Jge1mJ3RldG |
|---|---|
| Name | 2-Chloro-1-octenyl phenyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.079428724 u |
| Formula | C14H19ClO2S |
| InChI | InChI=1S/C14H19ClO2S/c1-2-3-4-6-9-13(15)12-18(16,17)14-10-7-5-8-11-14/h5,7-8,10-12H,2-4,6,9H2,1H3 |
| InChIKey | PHZSQTYYPKZRNF-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=CC1)S(C=C(CCCCCC)Cl)(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.860898 |