| SpectraBase Compound ID | F89dvhfoCsM |
|---|---|
| InChI | InChI=1S/C6H11Cl/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3 |
| InChIKey | OIXYALOFXKMPMT-UHFFFAOYSA-N |
| Mol Weight | 118.61 g/mol |
| Molecular Formula | C6H11Cl |
| Exact Mass | 118.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 33FEFNvm1pU |
|---|---|
| Name | 1-Butene, 1-chloro-2-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.054928054 u |
| Formula | C6H11Cl |
| InChI | InChI=1S/C6H11Cl/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3 |
| InChIKey | OIXYALOFXKMPMT-UHFFFAOYSA-N |
| Molecular Weight | 118.607 g/mol |
| SMILES | C(=C(CC)CC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939228 |