| SpectraBase Compound ID | 5IDDhbOolIo |
|---|---|
| InChI | InChI=1S/C5H7ClO/c1-3-5(6)4(2)7/h3H,1-2H3/b5-3+ |
| InChIKey | CLOKAQPNAZPHHP-HWKANZROSA-N |
| Mol Weight | 118.56 g/mol |
| Molecular Formula | C5H7ClO |
| Exact Mass | 118.018543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8VBjazum4Hk |
|---|---|
| Name | 3-Penten-2-one, 3-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.018542544 u |
| Formula | C5H7ClO |
| InChI | InChI=1S/C5H7ClO/c1-3-5(6)4(2)7/h3H,1-2H3/b5-3+ |
| InChIKey | CLOKAQPNAZPHHP-HWKANZROSA-N |
| Molecular Weight | 118.563 g/mol |
| SMILES | C(\C(=C/C)Cl)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87728 |