| SpectraBase Compound ID | DmO3T8C9jNH |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-13-16-14(15)12-6-4-2/h3-13H2,1-2H3 |
| InChIKey | QACHAKPYKAPHJQ-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 | KJmqxijdkYU |
|---|---|
| Name | Pentanoic acid, nonyl ester |
| 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/c1-3-5-7-8-9-10-11-13-16-14(15)12-6-4-2/h3-13H2,1-2H3 |
| InChIKey | QACHAKPYKAPHJQ-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(COC(=O)CCCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88447 |