| SpectraBase Compound ID | Bhlvk6Q99lI |
|---|---|
| InChI | InChI=1S/C16H16F5NO3/c1-2-7-25-16(24)8-3-5-22(6-4-8)15(23)9-10(17)12(19)14(21)13(20)11(9)18/h8H,2-7H2,1H3 |
| InChIKey | TZNALVRMLVELHJ-UHFFFAOYSA-N |
| Mol Weight | 365.3 g/mol |
| Molecular Formula | C16H16F5NO3 |
| Exact Mass | 365.105034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | lTdLvjji2J |
|---|---|
| Name | Isonipecotic acid, N-pentafluorobenzoyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.105034191 u |
| Formula | C16H16F5NO3 |
| InChI | InChI=1S/C16H16F5NO3/c1-2-7-25-16(24)8-3-5-22(6-4-8)15(23)9-10(17)12(19)14(21)13(20)11(9)18/h8H,2-7H2,1H3 |
| InChIKey | TZNALVRMLVELHJ-UHFFFAOYSA-N |
| Molecular Weight | 365.300 g/mol |
| SMILES | CCCOC(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O |