| SpectraBase Compound ID | 6WNazG0IxDn |
|---|---|
| InChI | InChI=1S/C5H9Cl/c1-3-5(2)4-6/h2-4H2,1H3 |
| InChIKey | LTVNYBFQRYQEJU-UHFFFAOYSA-N |
| Mol Weight | 104.58 g/mol |
| Molecular Formula | C5H9Cl |
| Exact Mass | 104.039278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 85SoUW3ZCA9 |
|---|---|
| Name | 1-Butene, 2-(chloromethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.039277990 u |
| Formula | C5H9Cl |
| InChI | InChI=1S/C5H9Cl/c1-3-5(2)4-6/h2-4H2,1H3 |
| InChIKey | LTVNYBFQRYQEJU-UHFFFAOYSA-N |
| Molecular Weight | 104.580 g/mol |
| SMILES | C(C(CCl)=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849475 |