| SpectraBase Compound ID | 9FDR0CY0CXE |
|---|---|
| InChI | InChI=1S/C21H31FO4/c1-3-16-25-20(23)10-8-6-4-5-7-9-11-21(24)26-17(2)18-12-14-19(22)15-13-18/h12-15,17H,3-11,16H2,1-2H3 |
| InChIKey | HOZSYUPFKGIXCM-UHFFFAOYSA-N |
| Mol Weight | 366.47 g/mol |
| Molecular Formula | C21H31FO4 |
| Exact Mass | 366.220638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uFaqYAK4cJ |
|---|---|
| Name | Sebacic acid, 1-(4-fluorophenyl)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.220637637 u |
| Formula | C21H31FO4 |
| InChI | InChI=1S/C21H31FO4/c1-3-16-25-20(23)10-8-6-4-5-7-9-11-21(24)26-17(2)18-12-14-19(22)15-13-18/h12-15,17H,3-11,16H2,1-2H3 |
| InChIKey | HOZSYUPFKGIXCM-UHFFFAOYSA-N |
| Molecular Weight | 366.473 g/mol |
| SMILES | C(CCCCCCC(OCCC)=O)CC(OC(C=1C=CC(=CC1)F)C)=O |