| SpectraBase Compound ID | JoOwE7sFibt |
|---|---|
| InChI | InChI=1S/C6H5ClO/c7-6(8)4-3-5-1-2-5/h5H,1-2H2 |
| InChIKey | DVHPRHBGALRPFN-UHFFFAOYSA-N |
| Mol Weight | 128.56 g/mol |
| Molecular Formula | C6H5ClO |
| Exact Mass | 128.002892 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kl3c2RlPeJz |
|---|---|
| Name | 3-Cyclopropyl-2-propynoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.002892480 u |
| Formula | C6H5ClO |
| InChI | InChI=1S/C6H5ClO/c7-6(8)4-3-5-1-2-5/h5H,1-2H2 |
| InChIKey | DVHPRHBGALRPFN-UHFFFAOYSA-N |
| SMILES | C(#CC1CC1)C(=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850241 |