| SpectraBase Compound ID | CdBNZF1aq01 |
|---|---|
| InChI | InChI=1S/C3H3Cl3O/c4-3(5,6)2-1-7-2/h2H,1H2 |
| InChIKey | VFEXYZINKMLLAK-UHFFFAOYSA-N |
| Mol Weight | 161.41 g/mol |
| Molecular Formula | C3H3Cl3O |
| Exact Mass | 159.924948 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3NN2EnqXGRv |
|---|---|
| Name | 1,2-Epoxy-3,3,3-trichloropropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.924947816 u |
| Formula | C3H3Cl3O |
| InChI | InChI=1S/C3H3Cl3O/c4-3(5,6)2-1-7-2/h2H,1H2 |
| InChIKey | VFEXYZINKMLLAK-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)(Cl)C1CO1 |
| Spectrum/Structure Validation Score (Raman) | 0.787246 |