| SpectraBase Compound ID | GKsQkIMyBcN |
|---|---|
| InChI | InChI=1S/C10H9Cl3O/c11-10(12,13)6-9(7-14-9)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | OZLJUUVVCWIXFF-UHFFFAOYSA-N |
| Mol Weight | 251.54 g/mol |
| Molecular Formula | C10H9Cl3O |
| Exact Mass | 249.971898 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ltapa7CBfDt |
|---|---|
| Name | 2-Phenyl-2-(2,2,2-trichloroethyl)oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.971898009 u |
| Formula | C10H9Cl3O |
| InChI | InChI=1S/C10H9Cl3O/c11-10(12,13)6-9(7-14-9)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | OZLJUUVVCWIXFF-UHFFFAOYSA-N |
| Molecular Weight | 251.540 g/mol |
| SMILES | C1(OC1)(CC(Cl)(Cl)Cl)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875721 |