| SpectraBase Compound ID | 8l7cUhqPVvd |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-4-6-7-9-11(8-5-2)13-10(3)12/h11H,4-9H2,1-3H3 |
| InChIKey | CCXFNNWNFYLOIK-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7lifDomJVsD |
|---|---|
| Name | Nonan-4-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-4-6-7-9-11(8-5-2)13-10(3)12/h11H,4-9H2,1-3H3 |
| InChIKey | CCXFNNWNFYLOIK-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | CCCC(CCCCC)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924244 |