| SpectraBase Compound ID | V3U3dxoF4D |
|---|---|
| InChI | InChI=1S/C12H17ClO/c1-10(2)7-8-14-9-11-3-5-12(13)6-4-11/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | FHCWRLQPGVRHCG-UHFFFAOYSA-N |
| Mol Weight | 212.72 g/mol |
| Molecular Formula | C12H17ClO |
| Exact Mass | 212.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 26gFHwbJ9Gm |
|---|---|
| Name | 4-Chlorobenzyl alcohol, 3-methylbutyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.096792866 u |
| Formula | C12H17ClO |
| InChI | InChI=1S/C12H17ClO/c1-10(2)7-8-14-9-11-3-5-12(13)6-4-11/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | FHCWRLQPGVRHCG-UHFFFAOYSA-N |
| Molecular Weight | 212.720 g/mol |
| SMILES | C1=CC(=CC=C1COCCC(C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92593 |