ACETYLISOEUGENOL(5912-87-8) IR1
Product NameACETYLISOEUGENOL
CAS5912-87-8
Molecular FormulaC12H14O3
Molecular Weight206.24
-
MassMS-IW-5499 trans-2-methoxy-4-(1-propenyl)phenyl acetate C12H14O3 (Mass of molecular ion: 206)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 1.2 43.0 4.5 51.0 1.1 55.0 2.5 65.0 1.7 77.0 3.3 79.0 1.4 91.0 4.1 103.0 3.6 104.0 3.2 105.0 1.4 107.0 1.5 121.0 3.7 131.0 6.7 132.0 3.1 133.0 5.4 137.0 1.2 147.0 1.5 149.0 16.1 150.0 1.6 163.0 2.6 164.0 100.0 165.0 11.2 166.0 1.0 206.0 19.0 207.0 2.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C12 H14 O3 0.045 g : 0.5 ml CDCl3 trans-2-methoxy-4-(1-propenyl)phenyl acetate 
Assign. Shift(ppm)
A 6.937 B 6.918 C 6.884 D 6.351 E 6.180 F 3.817 G 2.291 J 1.865 J(D,E)=15.8HZ J(D,J)=-1.7HZ J(E,J)=6.5HZ
Hz ppm Int.2777.71 6.951 103 2769.65 6.931 199 2765.75 6.921 108 2763.92 6.916 135 2755.00 6.894 102 2753.17 6.889 78 2746.95 6.874 50 2745.00 6.869 43 2548.83 6.378 38 2547.36 6.374 38 2533.20 6.339 58 2531.49 6.335 60 2479.49 6.205 91 2472.90 6.188 91 2463.75 6.165 59 2457.15 6.149 60 1525.76 3.818 764 915.53 2.291 1000 749.63 1.876 227 747.92 1.872 228 743.04 1.860 227 741.33 1.855 227
in CDCl3
KBr disc
nujol mull
