| SpectraBase Compound ID | KbxFkHWPPes |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-3-4-5-12-19-27-22(24)13-10-8-6-7-9-11-14-23(25)28-21-17-15-20(26-2)16-18-21/h15-18H,3-14,19H2,1-2H3 |
| InChIKey | RXGRPQXFFWHCNZ-UHFFFAOYSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhHVm43H5fs |
|---|---|
| Name | Sebacic acid, hexyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.256274254 u |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-3-4-5-12-19-27-22(24)13-10-8-6-7-9-11-14-23(25)28-21-17-15-20(26-2)16-18-21/h15-18H,3-14,19H2,1-2H3 |
| InChIKey | RXGRPQXFFWHCNZ-UHFFFAOYSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(OC)C=C1)=O)C(OCCCCCC)=O |