5,7-Dimethoxycoumarin(487-06-9) 13C NMR
Product Name5,7-Dimethoxycoumarin
CAS487-06-9
Molecular FormulaC11H10O4
Molecular Weight206.19
InChIInChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
InChIKey NXJCRELRQHZBQA-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC(OC)=CC(OC)=C2C=C1
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MassMS-NW-8243 5,7-dimethoxycoumarin C11H10O4 (Mass of molecular ion: 206)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.9 18.0 1.3 38.0 3.4 39.0 2.5 43.0 1.0 50.0 3.0 51.0 3.7 53.0 2.3 59.0 2.2 61.0 1.3 62.0 2.5 63.0 5.5 64.0 2.9 65.0 2.2 66.0 2.7 69.0 7.6 74.0 1.7 75.0 2.0 76.0 4.5 77.0 5.1 78.0 1.1 79.0 2.9 89.0 6.5 91.0 2.3 92.0 6.3 103.0 1.2 104.0 1.2 105.0 1.6 107.0 3.3 119.0 2.7 120.0 4.5 121.0 2.8 133.0 3.2 135.0 17.2 136.0 1.7 137.0 1.0 147.0 2.0 148.0 2.1 149.0 4.0 163.0 37.0 164.0 4.7 165.0 1.0 175.0 1.2 177.0 4.3 178.0 72.6 179.0 7.9 206.0 100.0 207.0 12.2 208.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H10 O4 0.040 g : 0.5 ml CDCl3 5,7-dimethoxycoumarin 
Assign. Shift(ppm)
A 7.947 B 6.388 C 6.271 D 6.140 E *1 3.887 F *1 3.850
Hz ppm Int.3181.27 7.961 153 3180.79 7.959 152 3171.63 7.937 158 3171.14 7.935 158 2554.08 6.391 152 2552.12 6.386 161 2507.45 6.275 196 2505.37 6.269 177 2458.62 6.152 221 2448.97 6.128 219 1553.59 3.888 945 1538.70 3.851 1000
in CDCl3
KBr disc
nujol mull
