| SpectraBase Compound ID | 6mKiNH9H4X3 |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-4-6-8-10-11-12-16-20-26-22(24)18-14-15-19-23(25)27-21(3)17-13-9-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | MFQJBCHHWOXFEL-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhHw15DIQl9 |
|---|---|
| Name | Adipic acid, nonyl 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-4-6-8-10-11-12-16-20-26-22(24)18-14-15-19-23(25)27-21(3)17-13-9-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | MFQJBCHHWOXFEL-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(C(OC(=O)CCCCC(OCCCCCCCCC)=O)C)CCCCC |