| SpectraBase Compound ID | C7lkBOelcak |
|---|---|
| InChI | InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 |
| InChIKey | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
| Mol Weight | 142.58 g/mol |
| Molecular Formula | C7H7ClO |
| Exact Mass | 142.018543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DpR8w7D6yEK |
|---|---|
| Name | 4-Chloro-3-methylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.018542544 u |
| Formula | C7H7ClO |
| InChI | InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 |
| InChIKey | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
| Molecular Weight | 142.585 g/mol |
| SMILES | OC=1C=C(C(=CC1)Cl)C |
| Spectrum/Structure Validation Score (Raman) | 0.927847 |