| SpectraBase Compound ID | 1pSBkqNbCU2 |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-4-6-9-13-20-16(18)10-7-8-11-17(19)21-14-12-15(3)5-2/h15H,4-14H2,1-3H3 |
| InChIKey | QHPFXPMEYXUDFH-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 | 2VI2f9Eq3xG |
|---|---|
| Name | Adipic acid, 3-methylpentyl 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/c1-4-6-9-13-20-16(18)10-7-8-11-17(19)21-14-12-15(3)5-2/h15H,4-14H2,1-3H3 |
| InChIKey | QHPFXPMEYXUDFH-UHFFFAOYSA-N |
| SMILES | C(C(OCCC(C)CC)=O)CCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879006 |