| SpectraBase Compound ID | LNOadvbMfmD |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-3-12-20-15(17)10-8-6-4-5-7-9-11-16(18)21-14-13-19-2/h3-14H2,1-2H3 |
| InChIKey | UCDIBHUTTXAVRT-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 | 4gV00e0v5QE |
|---|---|
| Name | Sebacic acid, 2-methoxyethyl propyl 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/c1-3-12-20-15(17)10-8-6-4-5-7-9-11-16(18)21-14-13-19-2/h3-14H2,1-2H3 |
| InChIKey | UCDIBHUTTXAVRT-UHFFFAOYSA-N |
| SMILES | C(OC(CCCCCCCCC(OCCC)=O)=O)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.995163 |