| SpectraBase Compound ID | 5S39mcR3vjA |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-3-5-7-9-10-12-16-20-26-22(24)18-14-13-17-21(23)25-19-15-11-8-6-4-2/h10,12H,3-9,11,13-20H2,1-2H3/b12-10- |
| InChIKey | BSEAEPIAMAAAMM-BENRWUELSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEPBvFPjePj |
|---|---|
| Name | Adipic acid, cis-non-3-enyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-3-5-7-9-10-12-16-20-26-22(24)18-14-13-17-21(23)25-19-15-11-8-6-4-2/h10,12H,3-9,11,13-20H2,1-2H3/b12-10- |
| InChIKey | BSEAEPIAMAAAMM-BENRWUELSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCCC(OCC\C=C/CCCCC)=O)C(OCCCCCCC)=O |