| SpectraBase Compound ID | 393D1CNE2CK |
|---|---|
| InChI | InChI=1S/C20H29FO4/c1-2-3-4-5-6-7-8-14-24-19(22)12-13-20(23)25-16-17-10-9-11-18(21)15-17/h9-11,15H,2-8,12-14,16H2,1H3 |
| InChIKey | SPXHOYHYPPWZCQ-UHFFFAOYSA-N |
| Mol Weight | 352.45 g/mol |
| Molecular Formula | C20H29FO4 |
| Exact Mass | 352.204988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkoNJG04M7o |
|---|---|
| Name | Succinic acid, 3-fluorobenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.204987573 u |
| Formula | C20H29FO4 |
| InChI | InChI=1S/C20H29FO4/c1-2-3-4-5-6-7-8-14-24-19(22)12-13-20(23)25-16-17-10-9-11-18(21)15-17/h9-11,15H,2-8,12-14,16H2,1H3 |
| InChIKey | SPXHOYHYPPWZCQ-UHFFFAOYSA-N |
| Molecular Weight | 352.446 g/mol |
| SMILES | C(CCC(OCC=1C=C(C=CC1)F)=O)(OCCCCCCCCC)=O |