| SpectraBase Compound ID | 6iCzNDkajjD |
|---|---|
| InChI | InChI=1S/C12H13ClO/c1-3-5-9-7-11(13)8-10(6-4-2)12(9)14/h3-4,7-8,14H,1-2,5-6H2 |
| InChIKey | RANSQHWYECVCMB-UHFFFAOYSA-N |
| Mol Weight | 208.69 g/mol |
| Molecular Formula | C12H13ClO |
| Exact Mass | 208.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IbxKMDRp1UV |
|---|---|
| Name | 2,6-Diallyl-4-chlorophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.065492738 u |
| Formula | C12H13ClO |
| InChI | InChI=1S/C12H13ClO/c1-3-5-9-7-11(13)8-10(6-4-2)12(9)14/h3-4,7-8,14H,1-2,5-6H2 |
| InChIKey | RANSQHWYECVCMB-UHFFFAOYSA-N |
| Molecular Weight | 208.688 g/mol |
| SMILES | C=CCC=1C=C(C=C(CC=C)C1O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948656 |