| SpectraBase Compound ID | DBgP7KgYjjf |
|---|---|
| InChI | InChI=1S/C8H9ClO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3 |
| InChIKey | VUZBRBKYGIQXMP-UHFFFAOYSA-N |
| Mol Weight | 156.61 g/mol |
| Molecular Formula | C8H9ClO |
| Exact Mass | 156.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9YIscomvfhc |
|---|---|
| Name | 3-Chloro-4-methoxytoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.034192609 u |
| Formula | C8H9ClO |
| InChI | InChI=1S/C8H9ClO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3 |
| InChIKey | VUZBRBKYGIQXMP-UHFFFAOYSA-N |
| Molecular Weight | 156.612 g/mol |
| SMILES | C1=C(C=CC(=C1Cl)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899087 |