| SpectraBase Compound ID | EpyTf4SzsBc |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-4-24-20(22)11-9-7-5-6-8-10-12-21(23)26-19-15-13-18(14-16-19)25-17(2)3/h13-17H,4-12H2,1-3H3 |
| InChIKey | ULVKGGITVFFQFG-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wi8rrdkWOK |
|---|---|
| Name | Sebacic acid, ethyl 4-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-4-24-20(22)11-9-7-5-6-8-10-12-21(23)26-19-15-13-18(14-16-19)25-17(2)3/h13-17H,4-12H2,1-3H3 |
| InChIKey | ULVKGGITVFFQFG-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCC)=O |