| SpectraBase Compound ID | 91LuPkYs3f1 |
|---|---|
| InChI | InChI=1S/C14H12F5NO4/c1-2-24-10(21)8-20(11(22)9-6-4-3-5-7-9)12(23)13(15,16)14(17,18)19/h3-7H,2,8H2,1H3 |
| InChIKey | FYZRKCQANUQPJP-UHFFFAOYSA-N |
| Mol Weight | 353.25 g/mol |
| Molecular Formula | C14H12F5NO4 |
| Exact Mass | 353.068649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HReU4061tK5 |
|---|---|
| Name | Hippuric acid, ethyl ester, N-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.068648681 u |
| Formula | C14H12F5NO4 |
| InChI | InChI=1S/C14H12F5NO4/c1-2-24-10(21)8-20(11(22)9-6-4-3-5-7-9)12(23)13(15,16)14(17,18)19/h3-7H,2,8H2,1H3 |
| InChIKey | FYZRKCQANUQPJP-UHFFFAOYSA-N |
| Molecular Weight | 353.245 g/mol |
| SMILES | C1=CC=C(C=C1)C(N(CC(=O)OCC)C(=O)C(C(F)(F)F)(F)F)=O |