| SpectraBase Compound ID | 2vCpBPUbTTF |
|---|---|
| InChI | InChI=1S/C9H10Cl2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6,12H,1-3H2 |
| InChIKey | SFYHVNQQBNMCOP-UHFFFAOYSA-N |
| Mol Weight | 205.08 g/mol |
| Molecular Formula | C9H10Cl2O |
| Exact Mass | 204.01087 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 72aagJOyLHR |
|---|---|
| Name | 3-(3,5-Dichlorophenyl)propanol; benzenepropanol, 3,5-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.010870341 u |
| Formula | C9H10Cl2O |
| InChI | InChI=1S/C9H10Cl2O/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6,12H,1-3H2 |
| InChIKey | SFYHVNQQBNMCOP-UHFFFAOYSA-N |
| Molecular Weight | 205.084 g/mol |
| SMILES | OCCCC1=CC(=CC(=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.985191 |