| SpectraBase Compound ID | 724vt4rcUDb |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-12(2)8-7-11-18-14(16)9-5-6-10-15(17)19-13(3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | XVIOSSUCJAODGZ-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fn3kLsCcKER |
|---|---|
| Name | Adipic acid, isohexyl 2-propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-12(2)8-7-11-18-14(16)9-5-6-10-15(17)19-13(3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | XVIOSSUCJAODGZ-UHFFFAOYSA-N |
| SMILES | C(CC(=O)OC(C)C)CCC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813514 |