| SpectraBase Compound ID | KMRQWNTfxhE |
|---|---|
| InChI | InChI=1S/C16H21FO4/c1-12(2)11-20-15(18)9-5-6-10-16(19)21-14-8-4-3-7-13(14)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3 |
| InChIKey | KXCRDEHMKHXDHN-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 | 8XKiRssqX0w |
|---|---|
| Name | Adipic acid, 2-fluorophenyl isobutyl 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/c1-12(2)11-20-15(18)9-5-6-10-16(19)21-14-8-4-3-7-13(14)17/h3-4,7-8,12H,5-6,9-11H2,1-2H3 |
| InChIKey | KXCRDEHMKHXDHN-UHFFFAOYSA-N |
| Molecular Weight | 296.338 g/mol |
| SMILES | C(C(=O)OC1=C(C=CC=C1)F)CCCC(OCC(C)C)=O |