| SpectraBase Compound ID | BKtA0ZwLPny |
|---|---|
| InChI | InChI=1S/C12H9ClO/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3 |
| InChIKey | IXGMHYHWSPDNNS-UHFFFAOYSA-N |
| Mol Weight | 204.66 g/mol |
| Molecular Formula | C12H9ClO |
| Exact Mass | 204.034193 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BWrE6jkBc4Z |
|---|---|
| Name | 4-Methyl-1-naphthoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.034192609 u |
| Formula | C12H9ClO |
| InChI | InChI=1S/C12H9ClO/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7H,1H3 |
| InChIKey | IXGMHYHWSPDNNS-UHFFFAOYSA-N |
| Molecular Weight | 204.656 g/mol |
| SMILES | C=12C=CC=CC1C(=CC=C2C(Cl)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.951737 |