| SpectraBase Compound ID | 9BFzoWWPP6j |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-4-5-18-26-22(24)12-10-8-6-7-9-11-13-23(25)28-21-16-14-20(15-17-21)27-19(2)3/h14-17,19H,4-13,18H2,1-3H3 |
| InChIKey | UJXZHKLDABZQDW-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 | 69qgYFoZnyR |
|---|---|
| Name | Sebacic acid, butyl 4-isopropoxyphenyl 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/c1-4-5-18-26-22(24)12-10-8-6-7-9-11-13-23(25)28-21-16-14-20(15-17-21)27-19(2)3/h14-17,19H,4-13,18H2,1-3H3 |
| InChIKey | UJXZHKLDABZQDW-UHFFFAOYSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCCCC)=O |