| SpectraBase Compound ID | Iiocnq1KdAa |
|---|---|
| InChI | InChI=1S/C17H23FO4/c1-3-5-8-13(4-2)21-16(19)11-12-17(20)22-15-10-7-6-9-14(15)18/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3 |
| InChIKey | IMELBKOOWRKMDW-UHFFFAOYSA-N |
| Mol Weight | 310.37 g/mol |
| Molecular Formula | C17H23FO4 |
| Exact Mass | 310.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2XD9YId2P5 |
|---|---|
| Name | Succinic acid, 2-fluorophenyl 3-heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.158037380 u |
| Formula | C17H23FO4 |
| InChI | InChI=1S/C17H23FO4/c1-3-5-8-13(4-2)21-16(19)11-12-17(20)22-15-10-7-6-9-14(15)18/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3 |
| InChIKey | IMELBKOOWRKMDW-UHFFFAOYSA-N |
| Molecular Weight | 310.365 g/mol |
| SMILES | C(CC(OC1=CC=CC=C1F)=O)C(OC(CCCC)CC)=O |