Analysis data for probe BI 665915 and control BI-0153
BI-0153
| MS (ESI pos.) | m/z = 431.1 ([M+H]+, calcd. 431.2) |
| 1H-NMR (500 MHz, DMSO-d6, 300K) | δ = 8.57 (s, 2H), 8.49 (s, 1H), 8.06 (s, 1H), 7.59 (d, 3J = 8.3 Hz, 2H), 7.47 (d, 3J = 8.3 Hz, 2H), 6.76 (s, 2H), 5.23 (s, 2H), 3.04 (s, 3H), 2.86 (s, 3H), 1.57 (q, J = 4.3 Hz, 2H), 1.41 (q, J = 4.4 Hz, 2H) ppm |
| 13C-NMR (126 MHz, DMSO-d6, 300K) | δ = 173.9, 170.5, 165.9, 162.9, 155.9, 138.5 (2x), 134.2, 134.0, 130.2, 125.2, 121.8, 106.5, 53.1, 35.9, 35.2, 22.5, 15.5 ppm |
| HPLC | tR = 4.559 min; purity: ≥95% |