| SpectraBase Compound ID | 606SaeyvRrs |
|---|---|
| InChI | InChI=1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2 |
| InChIKey | ZHBIWFGGIKFSHZ-UHFFFAOYSA-N |
| Mol Weight | 170.64 g/mol |
| Molecular Formula | C9H11ClO |
| Exact Mass | 170.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C60xfBnkw9s |
|---|---|
| Name | 1-Hydroxy-3-(4-chlorophenyl)-propan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.049842673 u |
| Formula | C9H11ClO |
| InChI | InChI=1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2 |
| InChIKey | ZHBIWFGGIKFSHZ-UHFFFAOYSA-N |
| Molecular Weight | 170.639 g/mol |
| SMILES | C(O)CCC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942994 |