| SpectraBase Compound ID | FtePe6o3Uj3 |
|---|---|
| InChI | InChI=1S/C12H15ClO/c1-9-4-6-11(7-5-9)8-12(3,13)10(2)14/h4-7H,8H2,1-3H3 |
| InChIKey | VCZCUBQWPUWBDL-UHFFFAOYSA-N |
| Mol Weight | 210.7 g/mol |
| Molecular Formula | C12H15ClO |
| Exact Mass | 210.081143 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BRYGAtHTE7 |
|---|---|
| Name | 3-Chloro-3-methyl-4-p-tolyl-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.081142802 u |
| Formula | C12H15ClO |
| InChI | InChI=1S/C12H15ClO/c1-9-4-6-11(7-5-9)8-12(3,13)10(2)14/h4-7H,8H2,1-3H3 |
| InChIKey | VCZCUBQWPUWBDL-UHFFFAOYSA-N |
| Molecular Weight | 210.704 g/mol |
| SMILES | C=1C(=CC=C(C1)C)CC(C(=O)C)(C)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.941823 |