| SpectraBase Compound ID | 30HkfsDEmWo |
|---|---|
| InChI | InChI=1S/C11H15ClO/c1-8(2)13-7-10-4-5-11(12)6-9(10)3/h4-6,8H,7H2,1-3H3 |
| InChIKey | AEOMGCSYODDXBM-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 | 2lc9DeGL6vx |
|---|---|
| Name | 4-Chloro-2-methylbenzyl alcohol, isopropyl ether |
| 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/c1-8(2)13-7-10-4-5-11(12)6-9(10)3/h4-6,8H,7H2,1-3H3 |
| InChIKey | AEOMGCSYODDXBM-UHFFFAOYSA-N |
| Molecular Weight | 198.693 g/mol |
| SMILES | C1=C(C(=CC(=C1)Cl)C)COC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9126 |