| SpectraBase Compound ID | 8EB3j2xT1Ws |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h11,13H,3-10,12,14-22H2,1-2H3/b13-11- |
| InChIKey | QEWRYBXPLCOFDA-QBFSEMIESA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItMcWEiuvSG |
|---|---|
| Name | Adipic acid, cis-non-3-enyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h11,13H,3-10,12,14-22H2,1-2H3/b13-11- |
| InChIKey | QEWRYBXPLCOFDA-QBFSEMIESA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCCC(OCC\C=C/CCCCC)=O)C(OCCCCCCCCC)=O |