| SpectraBase Compound ID | IXEAhrhQJt9 |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-5-6-7-8-9-10-12(4)15-13(14)11(2)3/h11-12H,5-10H2,1-4H3 |
| InChIKey | WFXPETDBZUMFRS-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4srTElXkEDS |
|---|---|
| Name | 2-Nonanol, 2-methylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-5-6-7-8-9-10-12(4)15-13(14)11(2)3/h11-12H,5-10H2,1-4H3 |
| InChIKey | WFXPETDBZUMFRS-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | C(CCCCC)CC(C)OC(C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987558 |