| SpectraBase Compound ID | D9xA0VVM4aM |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-3-5-6-7-10-14-20-16(18)12-9-8-11-15(17)19-13-4-2/h3-14H2,1-2H3 |
| InChIKey | SIBXLYVKHAWBSX-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqZ6VjxWCGl |
|---|---|
| Name | Adipic acid, heptyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-3-5-6-7-10-14-20-16(18)12-9-8-11-15(17)19-13-4-2/h3-14H2,1-2H3 |
| InChIKey | SIBXLYVKHAWBSX-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC(OCCC)=O)OCCCCCCC |