| SpectraBase Compound ID | 5BZ1MfbBi2k |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-2-3-4-5-10-16-21-27-23(25)19-14-8-6-7-9-15-20-24(26)28-22-17-12-11-13-18-22/h11-13,17-18H,2-10,14-16,19-21H2,1H3 |
| InChIKey | JEFKJYWJJPKYEL-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNvzrLCbcJd |
|---|---|
| Name | Sebacic acid, octyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-2-3-4-5-10-16-21-27-23(25)19-14-8-6-7-9-15-20-24(26)28-22-17-12-11-13-18-22/h11-13,17-18H,2-10,14-16,19-21H2,1H3 |
| InChIKey | JEFKJYWJJPKYEL-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCCCC)=O |