| SpectraBase Compound ID | G6Wva3O7pXx |
|---|---|
| InChI | InChI=1S/C17H18F5NO2/c1-2-3-6-9-23-10-13(12-7-4-5-8-14(12)23)15(24)25-11-16(18,19)17(20,21)22/h4-5,7-8,10H,2-3,6,9,11H2,1H3 |
| InChIKey | VMWCDOXVHOANNY-UHFFFAOYSA-N |
| Mol Weight | 363.33 g/mol |
| Molecular Formula | C17H18F5NO2 |
| Exact Mass | 363.12577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63mUkDiCHwN |
|---|---|
| Name | pb-22 Pentafluorpropyl analogue |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.125769637 u |
| Formula | C17H18F5NO2 |
| InChI | InChI=1S/C17H18F5NO2/c1-2-3-6-9-23-10-13(12-7-4-5-8-14(12)23)15(24)25-11-16(18,19)17(20,21)22/h4-5,7-8,10H,2-3,6,9,11H2,1H3 |
| InChIKey | VMWCDOXVHOANNY-UHFFFAOYSA-N |
| Molecular Weight | 363.328 g/mol |
| SMILES | C(F)(F)(F)C(COC(C=1C=2C=CC=CC2N(C1)CCCCC)=O)(F)F |