| SpectraBase Compound ID | HFlPoAggZlV |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h8-9H,3-7,10H2,1-2H3/b9-8+ |
| InChIKey | KQCNXVHFHZAHDW-CMDGGOBGSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
| SpectraBase Spectrum ID | Ic8TzDvk4Z0 |
|---|---|
| Name | (E)-Ethyl-3-nonenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h8-9H,3-7,10H2,1-2H3/b9-8+ |
| InChIKey | KQCNXVHFHZAHDW-CMDGGOBGSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(=O)(C\C=C\CCCCC)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.964468 |