| SpectraBase Compound ID | LgqSjCN443N |
|---|---|
| InChI | InChI=1S/C3H4ClNO/c1-2(4)3(5)6/h1H2,(H2,5,6) |
| InChIKey | YBXYCBGDIALKAK-UHFFFAOYSA-N |
| Mol Weight | 105.52 g/mol |
| Molecular Formula | C3H4ClNO |
| Exact Mass | 104.998141 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7UAbUHKW2Pr |
|---|---|
| Name | 2-Chloroprop-2-enamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.998141452 u |
| Formula | C3H4ClNO |
| InChI | InChI=1S/C3H4ClNO/c1-2(4)3(5)6/h1H2,(H2,5,6) |
| InChIKey | YBXYCBGDIALKAK-UHFFFAOYSA-N |
| Molecular Weight | 105.524 g/mol |
| SMILES | C(=C)(C(N)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961927 |