Analysis data for probe A-1155463 and control A-1107969
A-1155463
| 1H NMR (500 MHz, DMSO-d6) | δ 8.05 – 8.00 (m, 1H), 7.78 (dd, J = 8.0, 1.0 Hz, 1H), 7.67 (dd, J = 7.6, 1.4 Hz, 1H), 7.49 – 7.41 (m, 2H), 7.40 – 7.32 (m, 2H), 7.25 (dd, J = 11.9, 2.0 Hz, 1H), 7.18 (ddd, J = 8.5, 2.0, 1.0 Hz, 1H), 7.12 – 7.06 (m, 1H), 4.83 (s, 2H), 4.06 (t, J = 6.3 Hz, 2H), 3.71 (t, J = 6.0 Hz, 2H), 3.41 (s, 2H), 3.16 (t, J = 7.5 Hz, 2H), 3.02 (t, J = 6.1 Hz, 2H), 2.22 (s, 6H), 2.06 – 1.96 (m, 2H) |
| 13C NMR (126 MHz, DMSO-d6) | δ 172.04, 167.56, 165.05, 163.63, 158.60, |1J (C, F)|: = 152.05-150.10, 148.31, |2J (C, F)|: = 146.84-146.74, 139.02, 135.64, 132.44, 132.09, 131.44, 131.16, 128.46, 126.92, 126.46, 126.17, 123.69, 121.75, 120.42, |2J (C, F)|: = 118.79-118.63, 115.02, 84.61, 83.71, 67.85, 47.86, 45.00, 43.77, 30.36, 27.84, 23.00, 21.10. |
| MS (ESI+) m/z | 670 (M+H)+ |