Analysis data for probe BAY-1797 and control BAY-207
BAY-207
| MS (ESI pos.) | m/z = 477.0 ([M+H]+, calcd. 477.0) |
| 1H-NMR (500 MHz, DMSO-d6, 300K) | δ = 8.98 (s, 1H), 8.08 (d, 4J = 2.7 Hz, 1H), 7.74 (dd, J = 8.9, 2.7 Hz, 1H), 7.56 – 7.46 (m, 2H), 7.41 – 7.35 (m, 3H), 7.32 (s, 2H), 7.19 (ddd, J = 8.0, 2.0, 0.9 Hz, 1H), 7.07 (t, 4J = 2.2 Hz, 1H), 7.02 (d, 3J = 8.9 Hz, 1H), 6.97 (ddd, J = 8.3, 2.4, 0.9 Hz, 1H), 1.64 (q, J = 4.1 Hz, 2H), 1.15 (q, J = 4.2 Hz, 2H) ppm |
| 13C-NMR (126 MHz, DMSO-d6, 300K) | δ = 170.7, 157.9, 148.0, 137.0, 136.1, 134.9, 134.6, 133.6, 132.7, 131.1, 129.4, 129.3, 127.4, 126.3, 123.3, 121.0, 120.7, 118.7, 117.1, 29.8, 16.2 ppm |
| HPLC | tR = 6.368 min; purity: ≥95% |