| SpectraBase Compound ID | 50PQSoqyiRv |
|---|---|
| InChI | InChI=1S/C14H14F4O4/c1-9(14(16,17)18)21-12(19)7-4-8-13(20)22-11-6-3-2-5-10(11)15/h2-3,5-6,9H,4,7-8H2,1H3 |
| InChIKey | ADKVEMNCJJOGEE-UHFFFAOYSA-N |
| Mol Weight | 322.26 g/mol |
| Molecular Formula | C14H14F4O4 |
| Exact Mass | 322.082822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HU14jQZXVJV |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.082821579 u |
| Formula | C14H14F4O4 |
| InChI | InChI=1S/C14H14F4O4/c1-9(14(16,17)18)21-12(19)7-4-8-13(20)22-11-6-3-2-5-10(11)15/h2-3,5-6,9H,4,7-8H2,1H3 |
| InChIKey | ADKVEMNCJJOGEE-UHFFFAOYSA-N |
| Molecular Weight | 322.256 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC(C)C(F)(F)F)=O |