| SpectraBase Compound ID | IDKkPWMS53i |
|---|---|
| InChI | InChI=1S/C16H19FO4/c1-2-3-4-7-12-20-15(18)10-11-16(19)21-14-9-6-5-8-13(14)17/h2,5-6,8-9H,1,3-4,7,10-12H2 |
| InChIKey | XDQGNEFVRLPKDZ-UHFFFAOYSA-N |
| Mol Weight | 294.32 g/mol |
| Molecular Formula | C16H19FO4 |
| Exact Mass | 294.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EUFuWH2SnYB |
|---|---|
| Name | Succinic acid, 2-fluorophenyl hex-5-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.126737251 u |
| Formula | C16H19FO4 |
| InChI | InChI=1S/C16H19FO4/c1-2-3-4-7-12-20-15(18)10-11-16(19)21-14-9-6-5-8-13(14)17/h2,5-6,8-9H,1,3-4,7,10-12H2 |
| InChIKey | XDQGNEFVRLPKDZ-UHFFFAOYSA-N |
| Molecular Weight | 294.322 g/mol |
| SMILES | C(CC(OC1=CC=CC=C1F)=O)C(OCCCCC=C)=O |