7-Ethoxycoumarin(31005-02-4) MS
Product Name7-Ethoxycoumarin
CAS31005-02-4
Molecular FormulaC11H10O3
Molecular Weight190.2
InChIInChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
InChIKey LIFAQMGORKPVDH-UHFFFAOYSA-N
SmilesC1(=O)OC2=CC(OCC)=CC=C2C=C1
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MassMS-NW-6574 7-ethoxycoumarin C11H10O3 (Mass of molecular ion: 190)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.4 18.0 5.8 26.0 1.4 27.0 7.5 28.0 2.3 29.0 8.5 38.0 2.4 39.0 4.9 43.0 1.0 44.5 2.0 50.0 4.6 51.0 13.6 52.0 3.1 53.0 1.7 55.0 1.0 61.0 1.1 62.0 4.3 63.0 9.4 64.0 2.4 65.0 2.7 69.0 5.2 74.0 1.2 76.0 2.3 77.0 10.5 78.0 10.8 79.0 2.3 89.0 6.2 105.0 10.9 106.0 3.6 133.0 4.5 134.0 100.0 135.0 9.2 161.0 1.5 162.0 37.1 163.0 4.1 190.0 68.1 191.0 8.7 192.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H10 O3 0.048 g : 0.5 ml CDCl3 7-ethoxycoumarin 
Assign. Shift(ppm)
A 7.627 B 7.35 C 6.82 D 6.77 E 6.228 F 4.084 G 1.452 J(A,E)=9.5 HZ.
Hz ppm Int.688.31 7.686 264 678.81 7.580 296 663.75 7.412 140 662.69 7.400 59 662.25 7.395 58 656.44 7.330 127 654.75 7.311 197 654.00 7.303 123 616.44 6.883 163 614.00 6.856 282 608.50 6.795 149 607.88 6.788 154 606.69 6.775 559 562.13 6.277 371 552.81 6.173 318 376.63 4.206 116 369.50 4.126 400 362.56 4.049 421 355.63 3.971 140 136.81 1.528 472 129.88 1.451 1000 122.81 1.372 411
in CDCl3
KBr disc
nujol mull
