| SpectraBase Compound ID | 7BhN0vWZWpv |
|---|---|
| InChI | InChI=1S/C4H6Cl2O/c1-2-3(5)4(6)7/h3H,2H2,1H3 |
| InChIKey | KVQJVAOMYWTLEO-UHFFFAOYSA-N |
| Mol Weight | 141.0 g/mol |
| Molecular Formula | C4H6Cl2O |
| Exact Mass | 139.97957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8BT0ql4ERhl |
|---|---|
| Name | Butanoyl chloride, 2-chloro- |
| 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/c1-2-3(5)4(6)7/h3H,2H2,1H3 |
| InChIKey | KVQJVAOMYWTLEO-UHFFFAOYSA-N |
| Molecular Weight | 140.997 g/mol |
| SMILES | C(C(=O)Cl)(CC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913025 |