Kaempferol(520-18-3) MS
Product NameKaempferol
CAS520-18-3
Molecular FormulaC15H10O6
Molecular Weight286.24
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChIKey IYRMWMYZSQPJKC-UHFFFAOYSA-N
SmilesC1(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C2C(=O)C=1O
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MassMS-IW-7978 3,4',5,7-tetrahydroxyflavone C15H10O6 (H2O) (Mass of molecular ion: 286)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 5.5 28.0 1.7 39.0 1.4 51.0 1.4 65.0 2.4 67.0 1.0 69.0 3.7 77.0 1.4 78.0 1.3 92.0 1.3 93.0 3.2 94.0 1.0 105.0 1.6 106.0 1.0 108.0 1.1 120.0 2.5 121.0 9.8 123.0 1.1 129.0 3.8 134.0 2.9 136.0 2.5 137.0 1.9 143.0 6.1 143.5 1.0 153.0 4.5 184.0 1.4 212.0 1.4 213.0 3.7 229.0 5.6 230.0 1.1 241.0 1.2 257.0 5.8 258.0 7.3 259.0 1.2 269.0 1.4 270.0 2.0 285.0 31.1 286.0 100.0 287.0 17.1 288.0 2.6 302.0 1.4 316.0 1.3
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C15 H10 O6 0.037 g : 0.5 ml DMSO-d6 3,4',5,7-tetrahydroxyflavone 
Assign. Shift(ppm)
A 12.5 B 8.062 C 6.952 D 6.459 E 6.217
Hz ppm Int.1118.70 12.492 103 729.82 8.149 96 726.92 8.117 868 724.87 8.094 270 722.99 8.073 85 722.56 8.068 81 719.91 8.039 274 717.94 8.017 1000 715.55 7.990 128 715.04 7.984 136 629.59 7.030 115 626.77 6.999 999 624.80 6.977 292 619.85 6.922 245 617.80 6.899 827 615.75 6.876 116 614.98 6.867 115 579.43 6.470 770 577.38 6.447 931 557.56 6.226 967 555.51 6.203 833
KBr disc
nujol mull
