| SpectraBase Compound ID | AnRmCHqAVFZ |
|---|---|
| InChI | InChI=1S/C15H16F4O4/c1-10-5-2-3-6-11(10)23-13(21)8-4-7-12(20)22-9-15(18,19)14(16)17/h2-3,5-6,14H,4,7-9H2,1H3 |
| InChIKey | FEVXQLKUCCQDDF-UHFFFAOYSA-N |
| Mol Weight | 336.28 g/mol |
| Molecular Formula | C15H16F4O4 |
| Exact Mass | 336.098472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | u8H02t1Msu |
|---|---|
| Name | Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.098471643 u |
| Formula | C15H16F4O4 |
| InChI | InChI=1S/C15H16F4O4/c1-10-5-2-3-6-11(10)23-13(21)8-4-7-12(20)22-9-15(18,19)14(16)17/h2-3,5-6,14H,4,7-9H2,1H3 |
| InChIKey | FEVXQLKUCCQDDF-UHFFFAOYSA-N |
| Molecular Weight | 336.283 g/mol |
| SMILES | C(CCC(OCC(C(F)F)(F)F)=O)C(OC=1C(C)=CC=CC1)=O |