| SpectraBase Compound ID | XYplYvd4TN |
|---|---|
| InChI | InChI=1S/C11H11ClOS/c1-2-3-4-9-14(13)11-7-5-10(12)6-8-11/h5-8H,4,9H2,1H3 |
| InChIKey | NVUHSJRQTXPBJM-UHFFFAOYSA-N |
| Mol Weight | 226.72 g/mol |
| Molecular Formula | C11H11ClOS |
| Exact Mass | 226.021914 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BZBbBylpayT |
|---|---|
| Name | p-Chlorophenyl 3-pentynyl sulfoxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.021913847 u |
| Formula | C11H11ClOS |
| InChI | InChI=1S/C11H11ClOS/c1-2-3-4-9-14(13)11-7-5-10(12)6-8-11/h5-8H,4,9H2,1H3 |
| InChIKey | NVUHSJRQTXPBJM-UHFFFAOYSA-N |
| Molecular Weight | 226.721 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)S(CCC#CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.954645 |