| SpectraBase Compound ID | 6tDuvPY7TkM |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-15(4)13-21-17(19)11-7-6-10-16(18)20-12-8-9-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | JWNQHTMVYLPHFN-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 | HcdspJLEeEU |
|---|---|
| Name | Adipic acid, isohexyl 2-methylbutyl 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/c1-5-15(4)13-21-17(19)11-7-6-10-16(18)20-12-8-9-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | JWNQHTMVYLPHFN-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCCCC(C)C)=O)OCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877367 |