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MassMS-IW-0812 rhapontin C21H24O9 (Mass of molecular ion: 420)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 1.4 29.0 1.0 31.0 1.0 43.0 2.0 45.0 1.2 55.0 2.3 56.0 1.2 57.0 3.5 60.0 5.6 61.0 1.4 69.0 2.1 70.0 1.4 71.0 1.2 73.0 4.3 84.0 1.3 85.0 1.9 91.0 1.0 99.0 1.0 115.0 1.9 127.0 1.0 129.0 1.8 137.0 1.3 141.0 2.4 168.0 1.0 169.0 4.1 173.0 1.4 187.0 1.0 197.0 20.0 198.0 3.8 215.0 3.0 225.0 10.2 226.0 2.4 227.0 1.3 229.0 1.0 241.0 2.2 243.0 4.6 257.0 2.1 258.0 100.0 259.0 17.1 260.0 2.5 271.0 1.1 402.0 1.9 420.0 9.4 421.0 2.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C21 H24 O9 0.029 g : 0.5 ml DMSO-d6 rhapontin 
Assign. Shift(ppm)
A 9.46 B 9.00 C 7.038 D 7.001 E 6.968 F 6.909 G 6.858 J 6.749 K 6.590 L 6.356 M *1 5.30 N *1 5.11 P *1 5.04 Q 4.82 R 4.65 S 3.785 T *2 3.737 U *2 3.508 V *3 3.340 W *3 3.28 X *3 3.23 Y *3 3.18 ASSIGNED BY H-H COSY
Hz ppm Int.3781.13 9.462 393 3597.41 9.002 431 2813.72 7.041 167 2811.74 7.036 191 2808.23 7.027 101 2791.90 6.986 164 2788.39 6.978 67 2781.98 6.962 118 2780.00 6.957 111 2764.59 6.918 203 2756.20 6.897 117 2746.58 6.873 154 2730.41 6.833 93 2697.30 6.750 142 2633.67 6.590 151 2542.42 6.362 105 2540.28 6.357 187 2538.15 6.351 102 2120.51 5.306 187 2115.33 5.293 194 2045.44 5.119 174 2040.71 5.107 173 2017.82 5.049 172 2012.48 5.036 175 1931.92 4.835 132 1924.29 4.815 137 1862.95 4.662 71 1856.84 4.647 120 1851.35 4.633 74 1512.76 3.786 1000 1502.69 3.761 48 1501.31 3.757 42 1496.58 3.745 48 1491.09 3.731 48 1489.26 3.727 43 1485.75 3.718 43 1484.38 3.715 39 1404.27 3.514 54 1398.32 3.499 62 1392.52 3.485 48 1386.41 3.470 30 1344.15 3.364 36 1342.32 3.359 37 1338.35 3.349 36 1334.53 3.340 52 1332.70 3.335 51 1328.89 3.326 45 1326.60 3.320 50 1317.14 3.296 61 1312.26 3.284 62 1308.44 3.274 58 1303.71 3.263 68 1300.35 3.254 57 1295.32 3.242 59 1292.88 3.236 62 1287.69 3.223 61 1283.87 3.213 37 1281.74 3.208 54 1278.69 3.200 43 1276.55 3.195 51 1272.74 3.185 53 1266.94 3.171 53
in DMSO-d6
KBr disc
nujol mull
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