| SpectraBase Compound ID | 4pdCVzXQAsw |
|---|---|
| InChI | InChI=1S/C11H12Cl2O/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3 |
| InChIKey | BWPYAVCZZUTOBY-UHFFFAOYSA-N |
| Mol Weight | 231.12 g/mol |
| Molecular Formula | C11H12Cl2O |
| Exact Mass | 230.02652 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | I9PPXqKluQT |
|---|---|
| Name | 2-(4-Chlorophenyl)-3-methylbutyryl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.026520405 u |
| Formula | C11H12Cl2O |
| InChI | InChI=1S/C11H12Cl2O/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3 |
| InChIKey | BWPYAVCZZUTOBY-UHFFFAOYSA-N |
| Molecular Weight | 231.122 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(C(=O)Cl)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.959533 |