4-OXO-4-PYREN-1-YL-BUTYRIC ACID(7499-60-7) 1H NMR
Product Name4-OXO-4-PYREN-1-YL-BUTYRIC ACID
CAS7499-60-7
Molecular FormulaC20H14O3
Molecular Weight302.32
-
MassMS-NW-9224 gamma-oxo-1-pyrenebutyric acid C20H14O3 (Mass of molecular ion: 302)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 2.4 18.0 13.1 28.0 1.8 44.0 1.4 45.0 1.2 55.0 1.0 87.0 2.3 99.0 1.7 99.5 1.8 100.0 15.2 100.5 18.2 101.0 4.2 113.0 2.2 114.0 1.4 114.5 5.9 115.0 1.1 118.5 1.0 119.0 1.2 119.5 1.5 128.0 1.4 150.0 1.2 151.0 2.0 174.0 1.8 175.0 1.4 198.0 2.2 199.0 3.5 200.0 22.0 201.0 60.1 202.0 13.1 203.0 1.5 226.0 1.9 227.0 1.8 228.0 1.9 229.0 100.0 230.0 18.7 231.0 2.1 235.0 1.5 237.0 1.0 239.0 4.0 240.0 2.1 255.0 1.4 256.0 3.4 284.0 5.7 285.0 1.7 302.0 37.3 303.0 8.2 304.0 1.1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C20 H14 O3 0.044 g : 0.5 ml DMSO-d6 gamma-oxo-1-pyrenebutyric acid 
Assign. Shift(ppm)
A 12. B 8.809 C 8.570 D 8.39 E 8.37 F 8.36 G 8.32 J 8.31 K 8.233 L 8.149 M 3.52 N 2.824 ASSIGNED BY H-H AND C-H COSY. THE SIGNAL M INCLUDES H2O.
Hz ppm Int.3525.63 8.822 390 3521.24 8.811 204 3516.36 8.799 404 3429.44 8.582 398 3421.63 8.562 433 3355.47 8.397 612 3348.39 8.379 1000 3346.68 8.375 990 3338.87 8.355 619 3328.61 8.329 602 3323.49 8.317 562 3319.34 8.306 627 3315.19 8.296 629 3305.66 8.272 146 3304.93 8.270 142 3304.20 8.268 142 3303.71 8.267 142 3303.22 8.266 142 3293.95 8.243 520 3284.91 8.220 325 3263.92 8.167 298 3256.35 8.149 409 3249.02 8.130 211 1408.45 3.525 946 1128.66 2.825 725
in DMSO-d6
KBr disc
nujol mull
