| SpectraBase Compound ID | IaS1QNAv88D |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-5-6-13-18-27-23(25)14-11-9-7-8-10-12-15-24(26)28-22-17-16-20(2)21(3)19-22/h16-17,19H,4-15,18H2,1-3H3 |
| InChIKey | SOKAOXDRCZKKJD-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 | 4npOqs52tyv |
|---|---|
| Name | Sebacic acid, 3,4-dimethylphenyl 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/c1-4-5-6-13-18-27-23(25)14-11-9-7-8-10-12-15-24(26)28-22-17-16-20(2)21(3)19-22/h16-17,19H,4-15,18H2,1-3H3 |
| InChIKey | SOKAOXDRCZKKJD-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(CCCCCCC(OC=1C=C(C(C)=CC1)C)=O)CC(OCCCCCC)=O |