| SpectraBase Compound ID | 65MEOTdZZ2 |
|---|---|
| InChI | InChI=1S/C7H3Cl3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-3H |
| InChIKey | LXQRQVUSDOKVLD-UHFFFAOYSA-N |
| Mol Weight | 209.46 g/mol |
| Molecular Formula | C7H3Cl3O |
| Exact Mass | 207.924948 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AduotPGWBMk |
|---|---|
| Name | Benzaldehyde, 2,4,5-trichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.924947816 u |
| Formula | C7H3Cl3O |
| InChI | InChI=1S/C7H3Cl3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-3H |
| InChIKey | LXQRQVUSDOKVLD-UHFFFAOYSA-N |
| Molecular Weight | 209.459 g/mol |
| SMILES | C(=O)C1=C(Cl)C=C(C(=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940862 |