| SpectraBase Compound ID | CxGDSa4JzXq |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3,5H,4,6-11H2,1-2H3/b5-3+ |
| InChIKey | DYOGMCCRMUFRSF-HWKANZROSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9e0Jp3q6XPD |
|---|---|
| Name | Hexanoic acid, 4-hexen-1-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3,5H,4,6-11H2,1-2H3/b5-3+ |
| InChIKey | DYOGMCCRMUFRSF-HWKANZROSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CCCCCC(OCCC\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898014 |