7-Acetoxy-4-methylcoumarin(2747-05-9) 1H NMR
Product Name7-Acetoxy-4-methylcoumarin
CAS2747-05-9
Molecular FormulaC12H10O4
Molecular Weight218.21
InChIInChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
InChIKey HXVZGASCDAGAPS-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC(OC(C)=O)=CC=C2C(C)=C1
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MassMS-IW-6513 4-methyl-2-oxo-2H-chromen-7-yl acetate C12H10O4 (Mass of molecular ion: 218)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.3 39.0 3.6 41.0 1.2 42.0 3.1 43.0 18.1 50.0 1.8 51.0 4.0 52.0 1.5 62.0 1.2 63.0 2.9 65.0 5.7 69.0 2.2 74.0 1.1 77.0 2.7 78.0 1.0 79.0 1.1 89.0 1.5 91.0 8.1 92.0 1.0 103.0 1.0 119.0 3.6 120.0 3.8 131.0 1.0 147.0 17.9 148.0 72.1 149.0 7.2 175.0 1.2 176.0 100.0 177.0 11.1 178.0 1.1 218.0 17.1 219.0 2.5
KBr disc
nujol mull
