| SpectraBase Compound ID | AzPM8JM54XF |
|---|---|
| InChI | InChI=1S/C4H7ClO/c1-4(2,5)3-6/h3H,1-2H3 |
| InChIKey | UJZCIPIWDBMTLY-UHFFFAOYSA-N |
| Mol Weight | 106.55 g/mol |
| Molecular Formula | C4H7ClO |
| Exact Mass | 106.018543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DCwya2swKCN |
|---|---|
| Name | Propanal, 2-chloro-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 106.018542544 u |
| Formula | C4H7ClO |
| InChI | InChI=1S/C4H7ClO/c1-4(2,5)3-6/h3H,1-2H3 |
| InChIKey | UJZCIPIWDBMTLY-UHFFFAOYSA-N |
| Molecular Weight | 106.552 g/mol |
| SMILES | CC(C)(Cl)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972984 |