| SpectraBase Compound ID | IZTJv48xMaB |
|---|---|
| InChI | InChI=1S/C20H28F2O4/c1-2-3-12-25-19(23)10-8-6-4-5-7-9-11-20(24)26-18-14-16(21)13-17(22)15-18/h13-15H,2-12H2,1H3 |
| InChIKey | JKNVUVMBWHOJJT-UHFFFAOYSA-N |
| Mol Weight | 370.44 g/mol |
| Molecular Formula | C20H28F2O4 |
| Exact Mass | 370.195566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gptg0Uwr4XT |
|---|---|
| Name | Sebacic acid, butyl 3,5-difluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.195565704 u |
| Formula | C20H28F2O4 |
| InChI | InChI=1S/C20H28F2O4/c1-2-3-12-25-19(23)10-8-6-4-5-7-9-11-20(24)26-18-14-16(21)13-17(22)15-18/h13-15H,2-12H2,1H3 |
| InChIKey | JKNVUVMBWHOJJT-UHFFFAOYSA-N |
| Molecular Weight | 370.437 g/mol |
| SMILES | C(CCCCCCC(OC1=CC(=CC(=C1)F)F)=O)CC(OCCCC)=O |