| SpectraBase Compound ID | 9dG7FcVnnFE |
|---|---|
| InChI | InChI=1S/C11H7ClO2/c1-6-9(12)11(14)8-5-3-2-4-7(8)10(6)13/h2-5H,1H3 |
| InChIKey | WYIOQBYLZGEHCV-UHFFFAOYSA-N |
| Mol Weight | 206.63 g/mol |
| Molecular Formula | C11H7ClO2 |
| Exact Mass | 206.013457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4VOjkPih387 |
|---|---|
| Name | 2-Chloro-3-methyl-1,4-naphthoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.013457163 u |
| Formula | C11H7ClO2 |
| InChI | InChI=1S/C11H7ClO2/c1-6-9(12)11(14)8-5-3-2-4-7(8)10(6)13/h2-5H,1H3 |
| InChIKey | WYIOQBYLZGEHCV-UHFFFAOYSA-N |
| Molecular Weight | 206.628 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C(=C(C2=O)Cl)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929184 |