| SpectraBase Compound ID | 4eH4i4avfOF |
|---|---|
| InChI | InChI=1S/C22H33FO4/c1-4-7-8-9-10-11-12-16-26-20(24)22(5-2,6-3)21(25)27-19-15-13-14-18(23)17-19/h13-15,17H,4-12,16H2,1-3H3 |
| InChIKey | WYLHMUXICRJGKO-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C22H33FO4 |
| Exact Mass | 380.236288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61ZAjw0bbxU |
|---|---|
| Name | Diethylmalonic acid, 3-fluorophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.236287702 u |
| Formula | C22H33FO4 |
| InChI | InChI=1S/C22H33FO4/c1-4-7-8-9-10-11-12-16-26-20(24)22(5-2,6-3)21(25)27-19-15-13-14-18(23)17-19/h13-15,17H,4-12,16H2,1-3H3 |
| InChIKey | WYLHMUXICRJGKO-UHFFFAOYSA-N |
| Molecular Weight | 380.500 g/mol |
| SMILES | CCC(C(OCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)F)=O)CC |