| SpectraBase Compound ID | C2qP4asw02H |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-11(2,3)13-10-6-4-5-9(7-10)8-12/h4-7H,8H2,1-3H3 |
| InChIKey | YAQRKOUJVDPCMZ-UHFFFAOYSA-N |
| Mol Weight | 198.69 g/mol |
| Molecular Formula | C11H15ClO |
| Exact Mass | 198.081143 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JZGD27XLFTf |
|---|---|
| Name | 1-Chloromethyl-3-(1,1-dimethylethoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.081142802 u |
| Formula | C11H15ClO |
| InChI | InChI=1S/C11H15ClO/c1-11(2,3)13-10-6-4-5-9(7-10)8-12/h4-7H,8H2,1-3H3 |
| InChIKey | YAQRKOUJVDPCMZ-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C1(=CC(=CC=C1)CCl)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896759 |