| SpectraBase Compound ID | INKBGSXAD9B |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-3-4-5-12-19-27-23(25)13-10-8-6-7-9-11-14-24(26)28-20-22-17-15-21(2)16-18-22/h15-18H,3-14,19-20H2,1-2H3 |
| InChIKey | SXFYVNJKXAEJMS-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 | 6DC1VJaLwX4 |
|---|---|
| Name | Sebacic acid, hexyl 4-methylbenzyl 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/c1-3-4-5-12-19-27-23(25)13-10-8-6-7-9-11-14-24(26)28-20-22-17-15-21(2)16-18-22/h15-18H,3-14,19-20H2,1-2H3 |
| InChIKey | SXFYVNJKXAEJMS-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(CCCCCCC(OCCCCCC)=O)CC(OCC=1C=CC(=CC1)C)=O |