| SpectraBase Compound ID | 73VVP4da670 |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-10(12)15-9-7-5-3-4-6-8-11(13)14-2/h3-9H2,1-2H3 |
| InChIKey | LMJVDPDZLCRRAT-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | XG0xD1oERq |
|---|---|
| Name | Octanoic acid, 8-hydroxy-, methyl ester, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-10(12)15-9-7-5-3-4-6-8-11(13)14-2/h3-9H2,1-2H3 |
| InChIKey | LMJVDPDZLCRRAT-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(=O)(CCCCCCCOC(C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928933 |