| SpectraBase Compound ID | FxvL379TjZp |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-3-5-10-14-20-16(18)12-8-7-9-13-17(19)21-15-11-6-4-2/h3-15H2,1-2H3 |
| InChIKey | HVOBSMMTXJMTIU-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 | 43DPXcX2T9s |
|---|---|
| Name | Pimelic acid, di(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/c1-3-5-10-14-20-16(18)12-8-7-9-13-17(19)21-15-11-6-4-2/h3-15H2,1-2H3 |
| InChIKey | HVOBSMMTXJMTIU-UHFFFAOYSA-N |
| SMILES | C(OCCCCC)(=O)CCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935865 |