| SpectraBase Compound ID | 55wYaFA33P5 |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-4-6-7-8-9-10(5-2)11(12)13-3/h5,9H,2,4,6-8H2,1,3H3/b10-9- |
| InChIKey | BZEMGXOIHSZQBV-KTKRTIGZSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GSJ3uH0vvFd |
|---|---|
| Name | Methyl (Z)-2-ethenyl-2-octenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-4-6-7-8-9-10(5-2)11(12)13-3/h5,9H,2,4,6-8H2,1,3H3/b10-9- |
| InChIKey | BZEMGXOIHSZQBV-KTKRTIGZSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(\C(C=C)=C/CCCCC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976799 |