| SpectraBase Compound ID | Gmi42bp1dmL |
|---|---|
| InChI | InChI=1S/C4H6Cl2O/c1-3(7)4(6)2-5/h4H,2H2,1H3 |
| InChIKey | SHUJERIQXIHCAB-UHFFFAOYSA-N |
| Mol Weight | 141.0 g/mol |
| Molecular Formula | C4H6Cl2O |
| Exact Mass | 139.97957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DQfEQcKXQFR |
|---|---|
| Name | 3,4-bis(Chloranyl)butan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.979570212 u |
| Formula | C4H6Cl2O |
| InChI | InChI=1S/C4H6Cl2O/c1-3(7)4(6)2-5/h4H,2H2,1H3 |
| InChIKey | SHUJERIQXIHCAB-UHFFFAOYSA-N |
| Molecular Weight | 140.997 g/mol |
| SMILES | CC(C(CCl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887726 |