| SpectraBase Compound ID | a7YFb221se |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13) |
| InChIKey | MTRYLAXNDGUFAK-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 | 41WuIpECF9W |
|---|---|
| Name | Azelaic acid, monoethyl ester |
| 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/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13) |
| InChIKey | MTRYLAXNDGUFAK-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(CCCCCCCC(=O)O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993263 |