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MassMS-IW-1785 (S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone C16H14O6 (Mass of molecular ion: 302)
Source Temperature: 190 °C Sample Temperature: 160 °C Direct, 75 eV
39.0 2.8 41.0 1.2 43.0 1.2 50.0 1.3 51.0 2.5 52.0 1.4 53.0 2.0 55.0 2.4 63.0 1.2 65.0 1.4 67.0 1.1 69.0 6.0 77.0 4.8 78.0 2.7 79.0 2.1 89.0 1.7 91.0 1.4 96.0 2.3 107.0 6.5 108.0 1.0 111.0 1.9 121.0 1.0 123.0 2.5 124.0 9.8 130.0 4.2 134.0 1.2 135.0 25.6 136.0 3.4 137.0 70.6 138.0 6.3 149.0 2.0 150.0 45.3 151.0 6.7 152.0 4.4 153.0 31.0 154.0 2.5 177.0 1.3 178.0 2.5 179.0 15.1 180.0 1.5 216.0 1.5 217.0 1.6 231.0 1.5 259.0 5.1 271.0 1.2 274.0 1.7 284.0 3.4 285.0 5.8 286.0 2.6 287.0 2.1 300.0 1.2 301.0 24.0 302.0 100.0 303.0 17.6 304.0 2.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C16 H14 O6 0.030 g : 0.5 ml DMSO-d6 (S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone 
Assign. Shift(ppm)
A *1 12.1 B *1 10.8 C *1 9.1 D 6.939 E 6.934 F 6.881 G *2 5.909 J *2 5.898 K 5.434 L 3.780 M *3 3.201 N *3 2.716
Hz ppm Int.4856.11 12.151 598 4322.54 10.816 90 3645.38 9.122 156 2776.44 6.948 132 2774.61 6.943 177 2772.59 6.938 197 2768.20 6.927 221 2753.91 6.891 121 2751.89 6.886 103 2745.48 6.870 62 2743.65 6.866 55 2363.03 5.913 179 2361.02 5.908 387 2357.90 5.900 394 2355.70 5.895 175 2179.68 5.454 60 2176.57 5.447 68 2167.23 5.423 70 2164.30 5.416 64 1510.76 3.781 1000 1294.99 3.241 65 1282.53 3.210 64 1277.77 3.198 73 1265.31 3.167 73 1095.15 2.741 75 1092.04 2.733 82 1078.12 2.698 70 1074.82 2.690 65
in DMSO-d6
KBr disc
nujol mull
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