| SpectraBase Compound ID | FiRHtndAQJM |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-17(2)16-26-21(24)10-8-6-4-5-7-9-11-22(25)27-20-14-12-19(13-15-20)18(3)23/h12-15,17H,4-11,16H2,1-3H3 |
| InChIKey | SAIWYTGOQZOUGZ-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLRoSDlVqUF |
|---|---|
| Name | Sebacic acid, 4-acetylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.224974125 u |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-17(2)16-26-21(24)10-8-6-4-5-7-9-11-22(25)27-20-14-12-19(13-15-20)18(3)23/h12-15,17H,4-11,16H2,1-3H3 |
| InChIKey | SAIWYTGOQZOUGZ-UHFFFAOYSA-N |
| Molecular Weight | 376.493 g/mol |
| SMILES | C(CCCCC(OC1=CC=C(C(C)=O)C=C1)=O)CCCC(OCC(C)C)=O |