| SpectraBase Compound ID | KFdGAIE6QPh |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-6-8-10-12(11-9-7-2)16-13(15)14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | XLCGCENPHYGOGJ-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 42S9TYGx4pa |
|---|---|
| Name | 5-Nonanol, trimethylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.208930140 u |
| Formula | C14H28O2 |
| InChI | InChI=1S/C14H28O2/c1-6-8-10-12(11-9-7-2)16-13(15)14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | XLCGCENPHYGOGJ-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(CCCC)(CCCC)OC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948015 |