3,4-Methylenedioxyacetophenone(3162-29-6) IR1
Product Name3,4-Methylenedioxyacetophenone
CAS3162-29-6
Molecular FormulaC9H8O3
Molecular Weight164.16
InChIInChI=1S/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3
InChIKey BMHMKWXYXFBWMI-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C2OCOC2=C1)C
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MassMS-NW-8719 3',4'-(methylenedioxy)acetophenone C9H8O3 (Mass of molecular ion: 164)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.2 38.0 1.2 39.0 3.0 43.0 9.7 50.0 2.2 51.0 3.6 53.0 2.1 61.0 1.4 62.0 4.3 63.0 10.5 64.0 1.6 65.0 11.9 74.0 4.5 77.0 1.9 91.0 6.5 119.0 1.6 120.0 1.0 121.0 27.4 122.0 2.3 149.0 100.0 150.0 8.8 163.0 1.1 164.0 62.2 165.0 6.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H8 O3 0.040 g : 0.5 ml CDCl3 3',4'-(methylenedioxy)acetophenone 
Assign. Shift(ppm)
A 7.539 B 7.422 C 6.841 D 6.034 E 2.531
Hz ppm Int.680.81 7.602 66 679.06 7.583 79 672.69 7.512 78 671.00 7.493 110 665.69 7.433 136 665.31 7.429 142 663.94 7.414 105 663.56 7.410 91 616.50 6.884 122 616.06 6.879 116 608.38 6.793 97 607.94 6.789 91 540.50 6.036 714 226.75 2.532 1000 223.88 2.500 32
in CDCl3
KBr disc
nujol mull
