Bengenin(477-90-7) IR1
Molecular FormulaC14H16O9
Molecular Weight328.27
InChIInChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
InChIKey YWJXCIXBAKGUKZ-HJJNZUOJSA-N
Smiles[C@@]12([H])[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])C1=C(O)C(OC)=C(O)C=C1C(=O)O2
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MassMS-IW-6358 (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-3,4,8,10-tetrahydroxy-2-hydroxymethyl-9-methoxy-3,4,4a,10b-tetrahydropyrano(3,2-c)(2)benzopyran-6(2H)-one C14H16O9 H2O (Mass of molecular ion: 328)
Source Temperature: 200 °C Sample Temperature: 250 °C Direct, 75 eV
15.0 1.0 18.0 3.4 19.0 1.0 27.0 1.4 28.0 13.5 29.0 2.7 31.0 3.6 39.0 2.5 41.0 1.5 43.0 4.9 44.0 1.2 45.0 3.3 51.0 2.2 52.0 1.3 53.0 2.2 55.0 2.0 57.0 2.5 60.0 1.0 61.0 12.9 63.0 1.3 65.0 1.7 66.0 1.1 67.0 1.4 68.0 1.1 69.0 2.3 71.0 1.3 73.0 3.3 77.0 1.3 79.0 1.7 80.0 1.1 81.0 2.3 85.0 2.2 93.0 1.0 95.0 1.3 103.0 5.4 108.0 1.5 109.0 3.2 121.0 1.2 122.0 1.0 123.0 1.6 124.0 1.5 125.0 1.4 133.0 1.1 134.0 1.2 136.0 1.1 137.0 2.8 138.0 2.3 149.0 1.5 150.0 2.9 151.0 7.2 152.0 12.1 153.0 2.9 162.0 3.9 163.0 1.3 165.0 4.9 166.0 2.6 167.0 3.8 168.0 1.0 177.0 2.2 178.0 2.2 179.0 14.4 180.0 16.0 181.0 5.1 190.0 9.2 191.0 2.3 193.0 4.5 194.0 4.6 195.0 10.7 196.0 3.1 197.0 1.5 206.0 1.6 207.0 5.5 208.0 100.0 209.0 21.9 210.0 3.5 211.0 2.3 221.0 2.9 222.0 2.5 224.0 2.3 225.0 1.3 232.0 1.0 237.0 2.8 238.0 1.1 250.0 3.3 279.0 1.2 328.0 27.2 329.0 5.0
KBr disc
nujol mull
