| SpectraBase Compound ID | JeDq7fwUjct |
|---|---|
| InChI | InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2 |
| InChIKey | XJFZOSUFGSANIF-UHFFFAOYSA-N |
| Mol Weight | 125.0 g/mol |
| Molecular Formula | C4H6Cl2 |
| Exact Mass | 123.984656 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7vQJLgHUtzE |
|---|---|
| Name | 3-Chloro-2-(chloromethyl)propene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.984655593 u |
| Formula | C4H6Cl2 |
| InChI | InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2 |
| InChIKey | XJFZOSUFGSANIF-UHFFFAOYSA-N |
| Molecular Weight | 124.998 g/mol |
| SMILES | C(Cl)C(CCl)=C |
| Spectrum/Structure Validation Score (Raman) | 0.762428 |