| SpectraBase Compound ID | 3tnBVJkCrtS |
|---|---|
| InChI | InChI=1S/C9H11ClO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,6H2,1-2H3 |
| InChIKey | BHEHNICAPZVKRH-UHFFFAOYSA-N |
| Mol Weight | 170.64 g/mol |
| Molecular Formula | C9H11ClO |
| Exact Mass | 170.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EmBOLVfiCE0 |
|---|---|
| Name | 4-Methoxy-3-methylbenzyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.049842673 u |
| Formula | C9H11ClO |
| InChI | InChI=1S/C9H11ClO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,6H2,1-2H3 |
| InChIKey | BHEHNICAPZVKRH-UHFFFAOYSA-N |
| Molecular Weight | 170.639 g/mol |
| SMILES | C1=C(C=CC(=C1C)OC)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921386 |