| SpectraBase Compound ID | 7RnwqjAucjL |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-11-18-13(16)9-7-8-10-14(17)19-12(2)15(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | AJSXIKFHOVMBDV-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 | G4nKO7WU6lQ |
|---|---|
| Name | Adipic acid, 3,3-dimethylbut-2-yl propyl 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/c1-6-11-18-13(16)9-7-8-10-14(17)19-12(2)15(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | AJSXIKFHOVMBDV-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)(C)C)C)(CCCCC(OCCC)=O)=O |