| SpectraBase Compound ID | Eh2F5fm4kSe |
|---|---|
| InChI | InChI=1S/C13H6F5NO2/c14-8-7(9(15)11(17)12(18)10(8)16)5-21-13(20)6-1-3-19-4-2-6/h1-4H,5H2 |
| InChIKey | ZUQWBMUCGXTFKU-UHFFFAOYSA-N |
| Mol Weight | 303.19 g/mol |
| Molecular Formula | C13H6F5NO2 |
| Exact Mass | 303.031869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OuTnPEumff |
|---|---|
| Name | Isonicotinic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.031869250 u |
| Formula | C13H6F5NO2 |
| InChI | InChI=1S/C13H6F5NO2/c14-8-7(9(15)11(17)12(18)10(8)16)5-21-13(20)6-1-3-19-4-2-6/h1-4H,5H2 |
| InChIKey | ZUQWBMUCGXTFKU-UHFFFAOYSA-N |
| Molecular Weight | 303.188 g/mol |
| SMILES | C1=C(C=CN=C1)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O |