| SpectraBase Compound ID | 5pHdFVZotpo |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-3-4-5-10-15-20-27-23(25)18-11-8-6-7-9-12-19-24(26)28-22-17-14-13-16-21(22)2/h13-14,16-17H,3-12,15,18-20H2,1-2H3 |
| InChIKey | VVJJWBMLJUEYIZ-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 | 19yeBRcsyAU |
|---|---|
| Name | Sebacic acid, heptyl 2-methylphenyl 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/c1-3-4-5-10-15-20-27-23(25)18-11-8-6-7-9-12-19-24(26)28-22-17-14-13-16-21(22)2/h13-14,16-17H,3-12,15,18-20H2,1-2H3 |
| InChIKey | VVJJWBMLJUEYIZ-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(CCCCCCC(OC=1C(C)=CC=CC1)=O)CC(OCCCCCCC)=O |