| SpectraBase Compound ID | IHQ1c7OJpdT |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-4-5-6-9-12-18-14(16)10-7-8-11-15(17)19-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey | XHAJANVSQDEXKW-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 | EyyuEsbBx1D |
|---|---|
| Name | Adipic acid, hexyl 2-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/c1-4-5-6-9-12-18-14(16)10-7-8-11-15(17)19-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey | XHAJANVSQDEXKW-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCCCCCC)=O)OC(C)C |