| SpectraBase Compound ID | LdSxXPHflup |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-4-6-7-8-9-12(3,14)10-11(13)15-5-2/h14H,4-10H2,1-3H3 |
| InChIKey | NXRBXPDEFDUATB-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Yt2mOyNWGi |
|---|---|
| Name | 3-Hydroxy-3-methylnonanoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-4-6-7-8-9-12(3,14)10-11(13)15-5-2/h14H,4-10H2,1-3H3 |
| InChIKey | NXRBXPDEFDUATB-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | C(C(=O)OCC)C(O)(CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881305 |