| SpectraBase Compound ID | InVZAIpYEqP |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-4-6-9(7-5-2)11-8(3)10/h4-5,9H,1-2,6-7H2,3H3 |
| InChIKey | GGOHGGVWCJPFTK-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HEvDWFA3LEF |
|---|---|
| Name | 1,6-Heptadien-4-ol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-4-6-9(7-5-2)11-8(3)10/h4-5,9H,1-2,6-7H2,3H3 |
| InChIKey | GGOHGGVWCJPFTK-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C=CCC(CC=C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939678 |