| SpectraBase Compound ID | AKiXz927KlR |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-2-3-17-23-19(21)15-11-6-4-5-7-12-16-20(22)24-18-13-9-8-10-14-18/h8-10,13-14H,2-7,11-12,15-17H2,1H3 |
| InChIKey | BIFLREDYESLVSI-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3nb8gRULEO |
|---|---|
| Name | Sebacic acid, butyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-2-3-17-23-19(21)15-11-6-4-5-7-12-16-20(22)24-18-13-9-8-10-14-18/h8-10,13-14H,2-7,11-12,15-17H2,1H3 |
| InChIKey | BIFLREDYESLVSI-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCC)=O |