| SpectraBase Compound ID | Ktn78sLlfZk |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-9-15(4)21-17(19)12-7-6-11-16(18)20-13-8-10-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | MPFGQFNKXRDYEL-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 | 3jg7ZTI9PNC |
|---|---|
| Name | Adipic acid, isohexyl 2-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/c1-5-9-15(4)21-17(19)12-7-6-11-16(18)20-13-8-10-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | MPFGQFNKXRDYEL-UHFFFAOYSA-N |
| SMILES | C(CCC(=O)OC(C)CCC)CC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80589 |