| SpectraBase Compound ID | 4Pg88VJIuxh |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-4-6-7-8-9-12(5-2)10-14-11(3)13/h5,9H,2,4,6-8,10H2,1,3H3/b12-9+ |
| InChIKey | WVDJAAGNDIAXJR-FMIVXFBMSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8PnjN5XzQ23 |
|---|---|
| Name | (E)-2-Ethenyloct-2-enyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-4-6-7-8-9-12(5-2)10-14-11(3)13/h5,9H,2,4,6-8,10H2,1,3H3/b12-9+ |
| InChIKey | WVDJAAGNDIAXJR-FMIVXFBMSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C(=O)(OC\C(C=C)=C\CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951189 |