| SpectraBase Compound ID | 5ApXke1NXEw |
|---|---|
| InChI | InChI=1S/C11H21Cl/c1-3-4-5-6-7-8-9-11(2)10-12/h2-10H2,1H3 |
| InChIKey | CUEUHFCMVSDPMI-UHFFFAOYSA-N |
| Mol Weight | 188.74 g/mol |
| Molecular Formula | C11H21Cl |
| Exact Mass | 188.133178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K19UY5y0Sp5 |
|---|---|
| Name | 2-Octylally chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.133178376 u |
| Formula | C11H21Cl |
| InChI | InChI=1S/C11H21Cl/c1-3-4-5-6-7-8-9-11(2)10-12/h2-10H2,1H3 |
| InChIKey | CUEUHFCMVSDPMI-UHFFFAOYSA-N |
| Molecular Weight | 188.742 g/mol |
| SMILES | C(=C)(CCl)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940614 |