| SpectraBase Compound ID | 4kp7yOjiP4U |
|---|---|
| InChI | InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3 |
| InChIKey | BSRTYNDWQXVCKR-UHFFFAOYSA-N |
| Mol Weight | 127.01 g/mol |
| Molecular Formula | C4H8Cl2 |
| Exact Mass | 126.000306 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 739fdW6Jetf |
|---|---|
| Name | 2,2-Dichlorobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.000305658 u |
| Formula | C4H8Cl2 |
| InChI | InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3 |
| InChIKey | BSRTYNDWQXVCKR-UHFFFAOYSA-N |
| Molecular Weight | 127.014 g/mol |
| SMILES | CCC(C)(Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.934206 |