| SpectraBase Compound ID | DlclBr1PAUP |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-3-5-12-15-21-17(19)14-11-9-7-6-8-10-13-16(18)20-4-2/h3-15H2,1-2H3 |
| InChIKey | CURRXSHYCLPKRG-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GpbeDgesjJX |
|---|---|
| Name | Sebacic acid, ethyl pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-3-5-12-15-21-17(19)14-11-9-7-6-8-10-13-16(18)20-4-2/h3-15H2,1-2H3 |
| InChIKey | CURRXSHYCLPKRG-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC)=O)CCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95989 |