| SpectraBase Compound ID | 5r4NDgiy6R3 |
|---|---|
| InChI | InChI=1S/C9H10Cl2O/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2 |
| InChIKey | YSPORSMVVOGXBT-UHFFFAOYSA-N |
| Mol Weight | 205.08 g/mol |
| Molecular Formula | C9H10Cl2O |
| Exact Mass | 204.01087 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BZRCLoCRLpB |
|---|---|
| Name | Benzeneethanol, .alpha.-(dichloromethyl)- |
| 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/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2 |
| InChIKey | YSPORSMVVOGXBT-UHFFFAOYSA-N |
| Molecular Weight | 205.084 g/mol |
| SMILES | C(C(CC=1C=CC=CC1)O)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936262 |