| SpectraBase Compound ID | 3hzKBFCBGwP |
|---|---|
| InChI | InChI=1S/C4H7Cl3/c1-4(2,7)3(5)6/h3H,1-2H3 |
| InChIKey | FRRHZKFKOHHEJR-UHFFFAOYSA-N |
| Mol Weight | 161.46 g/mol |
| Molecular Formula | C4H7Cl3 |
| Exact Mass | 159.961333 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Gk5HStRCyqR |
|---|---|
| Name | 2-Methyl-1,1,2-trichloropropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.961333325 u |
| Formula | C4H7Cl3 |
| InChI | InChI=1S/C4H7Cl3/c1-4(2,7)3(5)6/h3H,1-2H3 |
| InChIKey | FRRHZKFKOHHEJR-UHFFFAOYSA-N |
| SMILES | CC(C(Cl)Cl)(C)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.889543 |