7-Methoxycoumarin(531-59-9) MS
Product Name7-Methoxycoumarin
CAS531-59-9
Molecular FormulaC10H8O3
Molecular Weight176.17
InChIInChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChIKey LIIALPBMIOVAHH-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC(OC)=CC=C2C=C1
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MassMS-NW-7447 7-methoxy-2-chromenone C10H8O3 (Mass of molecular ion: 176)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.5 18.0 2.0 27.0 1.1 28.0 2.2 37.0 1.5 38.0 2.9 39.0 4.6 44.5 2.3 45.0 1.0 49.0 1.0 50.0 5.5 51.0 14.9 52.0 1.0 52.5 1.0 53.0 1.5 59.0 1.0 61.0 2.3 62.0 5.2 63.0 9.7 64.0 2.1 65.0 1.3 69.0 4.4 74.0 4.3 75.0 1.1 76.0 3.4 77.0 15.2 78.0 1.6 79.0 2.0 87.0 1.3 88.0 1.9 89.0 6.3 90.0 3.3 91.0 3.4 105.0 9.7 118.0 1.5 119.0 1.6 120.0 2.6 133.0 62.2 134.0 6.8 145.0 1.0 148.0 66.8 149.0 6.9 162.0 1.4 176.0 100.0 177.0 11.8 178.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H8 O3 0.037 g : 0.5 ml CDCl3 7-methoxy-2-chromenone 
Assign. Shift(ppm)
A 7.646 B 7.372 C 6.831 D 6.801 E 6.250 F 3.872 J(A,E)=9.5HZ
Hz ppm Int.689.69 7.701 121 680.19 7.595 141 665.56 7.432 80 663.81 7.412 34 658.38 7.352 62 656.44 7.330 110 618.31 6.904 80 615.88 6.877 132 612.69 6.842 27 610.06 6.812 111 608.63 6.796 290 563.81 6.296 175 554.38 6.191 151 350.50 3.914 29 346.81 3.873 1000 342.88 3.829 26
in CDCl3
KBr disc
nujol mull
