| SpectraBase Compound ID | DnXH32GEoe7 |
|---|---|
| InChI | InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2 |
| InChIKey | RCHDLEVSZBOHOS-UHFFFAOYSA-N |
| Mol Weight | 122.98 g/mol |
| Molecular Formula | C4H4Cl2 |
| Exact Mass | 121.969006 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J1Q7eQysxAc |
|---|---|
| Name | 1,4-Dichloro-2-butyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.969005529 u |
| Formula | C4H4Cl2 |
| InChI | InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2 |
| InChIKey | RCHDLEVSZBOHOS-UHFFFAOYSA-N |
| Molecular Weight | 122.982 g/mol |
| SMILES | C(Cl)C#CCCl |
| Spectrum/Structure Validation Score (Raman) | 0.987468 |