| SpectraBase Compound ID | 534mG33oo9t |
|---|---|
| InChI | InChI=1S/C13H12F5NO2/c1-19-4-2-3-6(5-19)13(20)21-12-10(17)8(15)7(14)9(16)11(12)18/h6H,2-5H2,1H3 |
| InChIKey | GICPVCDRQWBLDR-UHFFFAOYSA-N |
| Mol Weight | 309.24 g/mol |
| Molecular Formula | C13H12F5NO2 |
| Exact Mass | 309.078819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIxuz3kSkmO |
|---|---|
| Name | Pentafluorophenyl 1-methylpiperidine-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.078819443 u |
| Formula | C13H12F5NO2 |
| InChI | InChI=1S/C13H12F5NO2/c1-19-4-2-3-6(5-19)13(20)21-12-10(17)8(15)7(14)9(16)11(12)18/h6H,2-5H2,1H3 |
| InChIKey | GICPVCDRQWBLDR-UHFFFAOYSA-N |
| Molecular Weight | 309.236 g/mol |
| SMILES | C1(F)=C(C(=C(C(=C1F)F)OC(=O)C1CN(CCC1)C)F)F |