| SpectraBase Compound ID | CjGcIfwJQnG |
|---|---|
| InChI | InChI=1S/C11H22O4/c1-3-5-6-7-8-9(12)10(13)11(14)15-4-2/h9-10,12-13H,3-8H2,1-2H3 |
| InChIKey | BWAASTATEBMWTP-UHFFFAOYSA-N |
| Mol Weight | 218.29 g/mol |
| Molecular Formula | C11H22O4 |
| Exact Mass | 218.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4t0DbuWs9gb |
|---|---|
| Name | (+-)-anti-ethyl 2,3-dihydroxynonanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.151809184 u |
| Formula | C11H22O4 |
| InChI | InChI=1S/C11H22O4/c1-3-5-6-7-8-9(12)10(13)11(14)15-4-2/h9-10,12-13H,3-8H2,1-2H3 |
| InChIKey | BWAASTATEBMWTP-UHFFFAOYSA-N |
| Molecular Weight | 218.293 g/mol |
| SMILES | C(C(C(CCCCCC)O)O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909859 |