| SpectraBase Compound ID | CyKMenqyO61 |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-5-13(4)11-19-15(17)9-7-6-8-14(16)18-10-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | KCKYQOCMVVEIPM-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmvJbnigIgz |
|---|---|
| Name | Adipic acid, isobutyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-5-13(4)11-19-15(17)9-7-6-8-14(16)18-10-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | KCKYQOCMVVEIPM-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCC(C)C)=O)OCC(CC)C |