| SpectraBase Compound ID | EUU9N4Le5mA |
|---|---|
| InChI | InChI=1S/C15H14F5NO3/c1-2-24-15(23)7-3-5-21(6-4-7)14(22)8-9(16)11(18)13(20)12(19)10(8)17/h7H,2-6H2,1H3 |
| InChIKey | UNCLJTXXIGBVMY-UHFFFAOYSA-N |
| Mol Weight | 351.27 g/mol |
| Molecular Formula | C15H14F5NO3 |
| Exact Mass | 351.089384 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 | 8HveF1IDZc4 |
|---|---|
| Name | Isonipecotic acid, N-pentafluorobenzoyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.089384127 u |
| Formula | C15H14F5NO3 |
| InChI | InChI=1S/C15H14F5NO3/c1-2-24-15(23)7-3-5-21(6-4-7)14(22)8-9(16)11(18)13(20)12(19)10(8)17/h7H,2-6H2,1H3 |
| InChIKey | UNCLJTXXIGBVMY-UHFFFAOYSA-N |
| Molecular Weight | 351.273 g/mol |
| SMILES | C1(=C(C(F)=C(C(N2CCC(C(OCC)=O)CC2)=O)C(=C1F)F)F)F |