| SpectraBase Compound ID | 3DDZnW2DgQL |
|---|---|
| InChI | InChI=1S/C16H21FO4/c1-4-14(11(2)3)21-16(19)9-8-15(18)20-13-7-5-6-12(17)10-13/h5-7,10-11,14H,4,8-9H2,1-3H3 |
| InChIKey | JFTCRYIEHIBSOC-UHFFFAOYSA-N |
| Mol Weight | 296.34 g/mol |
| Molecular Formula | C16H21FO4 |
| Exact Mass | 296.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jk5dfj2vIaO |
|---|---|
| Name | Succinic acid, 2-methylpent-3-yl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.142387315 u |
| Formula | C16H21FO4 |
| InChI | InChI=1S/C16H21FO4/c1-4-14(11(2)3)21-16(19)9-8-15(18)20-13-7-5-6-12(17)10-13/h5-7,10-11,14H,4,8-9H2,1-3H3 |
| InChIKey | JFTCRYIEHIBSOC-UHFFFAOYSA-N |
| Molecular Weight | 296.338 g/mol |
| SMILES | C(CC(OC(CC)C(C)C)=O)C(OC1=CC=CC(=C1)F)=O |