| SpectraBase Compound ID | CnSoWR9If4D |
|---|---|
| InChI | InChI=1S/C5H5Br2Cl3O2/c6-1-3(7)2-12-4(11)5(8,9)10/h3H,1-2H2 |
| InChIKey | XOWZLOOBHCTWDR-UHFFFAOYSA-N |
| Mol Weight | 363.26 g/mol |
| Molecular Formula | C5H5Br2Cl3O2 |
| Exact Mass | 359.772188 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6bqLeY2V5tM |
|---|---|
| Name | 2,3-Dibromopropyl trichlorolacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.772188499 u |
| Formula | C5H5Br2Cl3O2 |
| InChI | InChI=1S/C5H5Br2Cl3O2/c6-1-3(7)2-12-4(11)5(8,9)10/h3H,1-2H2 |
| InChIKey | XOWZLOOBHCTWDR-UHFFFAOYSA-N |
| Molecular Weight | 363.260 g/mol |
| SMILES | C(C(OCC(Br)CBr)=O)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92947 |