| SpectraBase Compound ID | Lkcwfmncxnk |
|---|---|
| InChI | InChI=1S/C21H30F2O4/c1-2-3-10-13-26-20(24)11-8-6-4-5-7-9-12-21(25)27-19-15-17(22)14-18(23)16-19/h14-16H,2-13H2,1H3 |
| InChIKey | LXZYUAAZFKXDJH-UHFFFAOYSA-N |
| Mol Weight | 384.46 g/mol |
| Molecular Formula | C21H30F2O4 |
| Exact Mass | 384.211216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33IpxHj0ul1 |
|---|---|
| Name | Sebacic acid, 3,5-difluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.211215768 u |
| Formula | C21H30F2O4 |
| InChI | InChI=1S/C21H30F2O4/c1-2-3-10-13-26-20(24)11-8-6-4-5-7-9-12-21(25)27-19-15-17(22)14-18(23)16-19/h14-16H,2-13H2,1H3 |
| InChIKey | LXZYUAAZFKXDJH-UHFFFAOYSA-N |
| Molecular Weight | 384.464 g/mol |
| SMILES | C(CCCCCCC(OC1=CC(=CC(=C1)F)F)=O)CC(OCCCCC)=O |