| SpectraBase Compound ID | 1doH4zItXiq |
|---|---|
| InChI | InChI=1S/C27H29F7N2O2/c1-17(2)35(18(3)4)13-12-20-15-36(24(37)25(28,29)26(30,31)27(32,33)34)23-11-10-21(14-22(20)23)38-16-19-8-6-5-7-9-19/h5-11,14-15,17-18H,12-13,16H2,1-4H3 |
| InChIKey | VIGZFJGFORIBSV-UHFFFAOYSA-N |
| Mol Weight | 546.53 g/mol |
| Molecular Formula | C27H29F7N2O2 |
| Exact Mass | 546.211725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8IUIIh7Kwe8 |
|---|---|
| Name | 5-bno-Dipt hfb P1693 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.211725321 u |
| Formula | C27H29F7N2O2 |
| InChI | InChI=1S/C27H29F7N2O2/c1-17(2)35(18(3)4)13-12-20-15-36(24(37)25(28,29)26(30,31)27(32,33)34)23-11-10-21(14-22(20)23)38-16-19-8-6-5-7-9-19/h5-11,14-15,17-18H,12-13,16H2,1-4H3 |
| InChIKey | VIGZFJGFORIBSV-UHFFFAOYSA-N |
| Molecular Weight | 546.530 g/mol |
| SMILES | C1(=CC=C2N(C=C(C2=C1)CCN(C(C)C)C(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F)OCC=1C=CC=CC1 |