DICUMAROL(66-76-2) IR2
Molecular FormulaC19H12O6
Molecular Weight336.3
InChIInChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
InChIKey DOBMPNYZJYQDGZ-UHFFFAOYSA-N
SmilesC(C1=C(O)C2=CC=CC=C2OC1=O)C1=C(O)C2=CC=CC=C2OC1=O
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MassMS-NW-7807 3,3'-methylenebis(4-hydroxycoumarin) C19H12O6 (Mass of molecular ion: 336)
Source Temperature: 230 °C Sample Temperature: 200 °C Direct, 75 eV
14.0 1.5 25.0 1.4 26.0 9.1 27.0 4.1 28.0 1.8 29.0 2.6 37.0 8.2 38.0 19.0 39.0 21.2 40.0 1.2 41.0 2.2 42.0 4.5 43.0 1.5 49.0 2.5 50.0 17.1 51.0 14.7 52.0 3.6 53.0 15.6 54.0 3.5 55.0 2.6 61.0 6.1 62.0 13.8 63.0 44.0 64.0 39.5 65.0 23.2 66.0 3.2 67.0 1.8 69.0 4.1 73.0 1.8 74.0 6.2 75.0 5.2 76.0 11.1 77.0 12.8 78.0 2.5 79.0 1.2 86.0 1.2 87.0 1.3 88.0 1.2 89.0 4.4 90.0 2.8 91.0 3.1 92.0 100.0 93.0 16.9 94.0 1.9 98.0 1.1 101.0 1.1 102.0 3.8 103.0 2.4 104.0 5.1 105.0 4.2 107.0 1.6 115.0 3.0 118.0 2.6 119.0 1.2 120.0 55.5 121.0 45.6 122.0 3.7 130.0 1.8 131.0 3.9 134.0 3.4 146.0 5.5 147.0 2.3 160.0 1.8 162.0 26.7 163.0 3.4 173.0 1.4 174.0 22.1 175.0 6.8 176.0 1.3 187.0 8.0 188.0 3.2 215.0 9.4 216.0 1.3 290.0 1.4 336.0 19.7 337.0 4.5
KBr disc
nujol mull
