| SpectraBase Compound ID | ESw0du3kNGS |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-2-3-4-9-15-20-26-22(24)18-13-7-5-6-8-14-19-23(25)27-21-16-11-10-12-17-21/h10-12,16-17H,2-9,13-15,18-20H2,1H3 |
| InChIKey | IDPJJFZMXFOTEE-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9J6viaFv7ZE |
|---|---|
| Name | Sebacic acid, heptyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-2-3-4-9-15-20-26-22(24)18-13-7-5-6-8-14-19-23(25)27-21-16-11-10-12-17-21/h10-12,16-17H,2-9,13-15,18-20H2,1H3 |
| InChIKey | IDPJJFZMXFOTEE-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCCC)=O |