Cianidanol(154-23-4) 1H NMR
Product NameCianidanol
CAS154-23-4
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+/m0/s1
InChIKey PFTAWBLQPZVEMU-DZGCQCFKSA-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-2084 (+)-catechin C15H14O6 (H2O) (Mass of molecular ion: 290)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
17.0 4.7 18.0 28.7 26.0 2.0 27.0 4.4 28.0 7.3 29.0 2.4 32.0 1.2 34.0 2.4 38.0 1.7 39.0 7.6 40.0 5.6 41.0 4.7 42.0 3.6 43.0 3.9 44.0 2.3 50.0 2.7 51.0 9.0 52.0 3.0 53.0 3.3 54.0 2.7 55.0 7.9 56.0 1.2 57.0 2.7 60.0 1.2 63.0 2.9 64.0 1.2 65.0 4.3 66.0 2.4 67.0 2.7 68.0 2.6 69.0 9.5 71.0 1.1 73.0 1.0 75.0 1.0 76.0 1.5 77.0 9.7 78.0 3.5 79.0 1.2 80.0 1.0 81.0 2.6 82.0 2.6 83.0 1.6 84.0 1.4 85.0 1.4 91.0 1.6 93.0 2.3 94.0 2.2 95.0 2.6 96.0 1.4 97.0 1.8 98.0 1.1 105.0 2.3 106.0 1.3 107.0 2.1 109.0 1.0 110.0 5.9 111.0 2.3 118.0 1.4 119.0 1.1 121.0 1.1 122.0 3.0 123.0 51.8 124.0 20.6 125.0 1.7 126.0 5.2 133.0 1.3 134.0 1.2 135.0 1.6 136.0 2.8 137.0 1.5 138.0 5.0 139.0 100.0 140.0 8.7 141.0 1.1 150.0 3.6 151.0 1.6 152.0 47.1 153.0 4.4 163.0 2.9 166.0 1.0 167.0 4.4 168.0 1.0 271.0 1.1 272.0 1.4 290.0 26.5 291.0 4.1
KBr disc
nujol mull
