| SpectraBase Compound ID | 4wLPIm5PVRC |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-3-19-13-14-21-16(18)12-10-8-6-5-7-9-11-15(17)20-4-2/h3-14H2,1-2H3 |
| InChIKey | VZSVRQCKAVDAHR-UHFFFAOYSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C16H30O5 |
| Exact Mass | 302.209324 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | fw4Svd5ZF4 |
|---|---|
| Name | Sebacic acid, 2-ethoxyethyl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.209324061 u |
| Formula | C16H30O5 |
| InChI | InChI=1S/C16H30O5/c1-3-19-13-14-21-16(18)12-10-8-6-5-7-9-11-15(17)20-4-2/h3-14H2,1-2H3 |
| InChIKey | VZSVRQCKAVDAHR-UHFFFAOYSA-N |
| SMILES | C(CCCCCC(OCCOCC)=O)CCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.99382 |