| SpectraBase Compound ID | GfsgHiJfQOZ |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-3-5-6-13-19-27-23(25)17-11-9-7-8-10-12-18-24(26)28-22-16-14-15-21(4-2)20-22/h14-16,20H,3-13,17-19H2,1-2H3 |
| InChIKey | IYJXAXHJDOUOLB-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 | DOwFOfeizL6 |
|---|---|
| Name | Sebacic acid, 3-ethylphenyl hexyl 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/c1-3-5-6-13-19-27-23(25)17-11-9-7-8-10-12-18-24(26)28-22-16-14-15-21(4-2)20-22/h14-16,20H,3-13,17-19H2,1-2H3 |
| InChIKey | IYJXAXHJDOUOLB-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(CCCCCC(OC1=CC(CC)=CC=C1)=O)CCC(OCCCCCC)=O |