L-Epicatechin (490-46-0) IR2
Product NameL-Epicatechin
CAS490-46-0
Molecular FormulaC15H14O6
Molecular Weight290.27
InChIInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
InChIKey PFTAWBLQPZVEMU-UKRRQHHQSA-N
Smiles[C@H]1(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C[C@H]1O
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MassMS-NW-7454 (-)-epicatechin C15H14O6 (Mass of molecular ion: 290)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 5.0 18.0 20.9 27.0 3.2 28.0 2.8 29.0 1.8 38.0 1.4 39.0 6.2 40.0 2.0 41.0 3.1 42.0 1.8 43.0 4.7 44.0 1.5 50.0 2.0 51.0 7.7 52.0 3.6 53.0 2.9 54.0 1.0 55.0 6.2 63.0 2.8 64.0 1.7 65.0 3.5 66.0 1.8 67.0 2.1 69.0 10.2 76.0 1.2 77.0 8.9 78.0 2.7 79.0 1.2 80.0 1.6 81.0 1.9 84.0 1.1 85.0 2.9 93.0 1.3 94.0 1.5 95.0 2.1 97.0 2.2 105.0 2.2 106.0 1.2 107.0 3.0 108.0 1.3 109.0 1.0 110.0 4.1 111.0 2.9 121.0 1.1 122.0 1.8 123.0 44.4 124.0 17.8 125.0 1.8 126.0 13.1 127.0 1.9 136.0 4.0 137.0 1.8 138.0 1.8 139.0 100.0 140.0 8.6 141.0 1.1 150.0 2.3 151.0 2.0 152.0 43.4 153.0 4.0 163.0 3.2 167.0 5.4 168.0 1.1 271.0 2.6 272.0 3.9 274.0 1.5 290.0 24.9 291.0 4.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H14 O6 0.029 g : 0.5 ml DMSO-d6 (-)-epicatechin 
Assign. Shift(ppm)
A *1 9.05 B *1 8.84 C *1 8.74 D *1 8.66 E 6.821 F *2 6.59 G *2 6.58 J 5.821 K 5.646 L 4.66 M 4.595 N 3.928 P *3 2.604 Q *3 2.40
Hz ppm Int.3616.03 9.048 971 3531.80 8.838 1000 3493.96 8.743 920 3459.32 8.656 898 2726.75 6.823 463 2725.37 6.820 477 2641.91 6.611 135 2639.92 6.606 66 2633.97 6.591 761 2631.84 6.586 525 2630.16 6.582 450 2623.44 6.565 84 2621.77 6.561 94 2327.58 5.825 530 2325.29 5.819 573 2257.54 5.649 562 2255.25 5.644 542 1862.34 4.660 456 1839.14 4.602 333 1834.41 4.591 344 1571.96 3.934 187 1568.30 3.925 185 1052.70 2.635 106 1048.13 2.623 120 1036.22 2.593 190 1031.95 2.583 145 955.35 2.391 142 952.15 2.383 122
in DMSO-d6
KBr disc
nujol mull
