| SpectraBase Compound ID | 8zk1Vj2Ga7Y |
|---|---|
| InChI | InChI=1S/C23H20F7NO3/c1-14(11-15-7-8-19-16(12-15)9-10-34-19)31(13-17-5-3-4-6-18(17)33-2)20(32)21(24,25)22(26,27)23(28,29)30/h3-10,12,14H,11,13H2,1-2H3 |
| InChIKey | VBRXJMPYVRNNDU-UHFFFAOYSA-N |
| Mol Weight | 491.41 g/mol |
| Molecular Formula | C23H20F7NO3 |
| Exact Mass | 491.133141 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzKm0INLQEm |
|---|---|
| Name | 4-apb-Nbome hfb P1649 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 491.133140646 u |
| Formula | C23H20F7NO3 |
| InChI | InChI=1S/C23H20F7NO3/c1-14(11-15-7-8-19-16(12-15)9-10-34-19)31(13-17-5-3-4-6-18(17)33-2)20(32)21(24,25)22(26,27)23(28,29)30/h3-10,12,14H,11,13H2,1-2H3 |
| InChIKey | VBRXJMPYVRNNDU-UHFFFAOYSA-N |
| Molecular Weight | 491.406 g/mol |
| SMILES | C=1(C=CC=CC1OC)CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(CC1=CC=C2C(=C1)C=CO2)C |