| SpectraBase Compound ID | LExzVGQAUi1 |
|---|---|
| InChI | InChI=1S/C9H9ClO/c1-2-3-7-6-8(10)4-5-9(7)11/h2,4-6,11H,1,3H2 |
| InChIKey | NQZKLVHWFYHXGH-UHFFFAOYSA-N |
| Mol Weight | 168.62 g/mol |
| Molecular Formula | C9H9ClO |
| Exact Mass | 168.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5de2uQdvoIu |
|---|---|
| Name | 2-Allyl-4-chlorophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.034192609 u |
| Formula | C9H9ClO |
| InChI | InChI=1S/C9H9ClO/c1-2-3-7-6-8(10)4-5-9(7)11/h2,4-6,11H,1,3H2 |
| InChIKey | NQZKLVHWFYHXGH-UHFFFAOYSA-N |
| Molecular Weight | 168.623 g/mol |
| SMILES | C=1(C(=CC(=CC1)Cl)CC=C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909457 |