| SpectraBase Compound ID | 7glvRgfA6ax |
|---|---|
| InChI | InChI=1S/C10H9Cl3O3/c1-15-8-4-2-7(3-5-8)9(14)16-6-10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | ANLRYCNMKWXTHP-UHFFFAOYSA-N |
| Mol Weight | 283.54 g/mol |
| Molecular Formula | C10H9Cl3O3 |
| Exact Mass | 281.961727 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | mxSdSvdF4d |
|---|---|
| Name | 2,2,2-Trichloroethyl 4-methoxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.961727247 u |
| Formula | C10H9Cl3O3 |
| InChI | InChI=1S/C10H9Cl3O3/c1-15-8-4-2-7(3-5-8)9(14)16-6-10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | ANLRYCNMKWXTHP-UHFFFAOYSA-N |
| SMILES | C(COC(C=1C=CC(=CC1)OC)=O)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8293 |