| SpectraBase Compound ID | KCgCwtuagcJ |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-14-18-22(24)26-20-16-12-10-8-6-4-2/h11,13H,3-10,12,14-21H2,1-2H3/b13-11- |
| InChIKey | BAAIKRYWKRKACT-QBFSEMIESA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3Z6Xdfr13u |
|---|---|
| Name | Adipic acid, cis-non-3-enyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-14-18-22(24)26-20-16-12-10-8-6-4-2/h11,13H,3-10,12,14-21H2,1-2H3/b13-11- |
| InChIKey | BAAIKRYWKRKACT-QBFSEMIESA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(CCCC(OCC\C=C/CCCCC)=O)C(OCCCCCCCC)=O |