| SpectraBase Compound ID | 54CsPINrZ0W |
|---|---|
| InChI | InChI=1S/C14H17FO4/c1-10(2)18-13(16)8-5-9-14(17)19-12-7-4-3-6-11(12)15/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey | XPGGZVFBXMRMFH-UHFFFAOYSA-N |
| Mol Weight | 268.28 g/mol |
| Molecular Formula | C14H17FO4 |
| Exact Mass | 268.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zCmHhxrMFP |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.111087186 u |
| Formula | C14H17FO4 |
| InChI | InChI=1S/C14H17FO4/c1-10(2)18-13(16)8-5-9-14(17)19-12-7-4-3-6-11(12)15/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey | XPGGZVFBXMRMFH-UHFFFAOYSA-N |
| Molecular Weight | 268.284 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC(C)C)=O |