(E)-2-methoxy-4-(prop-1-enyl)phenol(5932-68-3) Raman
Product Name(E)-2-methoxy-4-(prop-1-enyl)phenol
CAS5932-68-3
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
InChIKey BJIOGJUNALELMI-ONEGZZNKSA-N
SmilesC1(O)=CC=C(/C=C/C)C=C1OC
-
MassMS-NW-0680 trans-isoeugenol C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.0 18.0 2.8 27.0 5.0 28.0 5.4 29.0 1.6 32.0 1.3 38.0 1.7 39.0 9.5 40.0 1.5 41.0 5.7 42.0 2.0 43.0 3.8 44.0 1.0 50.0 3.6 51.0 8.8 52.0 3.5 53.0 4.0 55.0 18.6 56.0 2.7 57.0 2.7 62.0 2.0 63.0 4.7 64.0 1.4 65.0 7.6 66.0 2.1 67.0 1.0 71.0 1.0 74.0 1.4 75.0 1.4 76.0 1.2 77.0 22.0 78.0 6.1 79.0 5.2 81.0 1.8 82.0 2.2 89.0 2.2 91.0 16.5 92.0 2.4 93.0 4.6 94.0 1.9 102.0 1.7 103.0 19.4 104.0 10.4 105.0 5.3 107.0 3.4 109.0 1.2 115.0 1.8 118.0 1.0 119.0 1.9 120.0 1.3 121.0 14.5 122.0 2.1 131.0 17.8 132.0 5.2 133.0 12.8 134.0 1.7 135.0 1.0 137.0 6.4 147.0 3.6 148.0 1.0 149.0 35.0 150.0 3.6 163.0 4.2 164.0 100.0 165.0 11.4 166.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H12 O2 0.05 ml : 0.5 ml CDCl3 trans-isoeugenol 
Assign. Shift(ppm)
A 6.83 B 6.82 C 6.81 D 6.291 E 6.049 F 5.73 G 3.812 J 1.830 J(D,J) = 1.7 HZ. J(D,E) = 15.6 HZ. J(E,J) = 6.6 HZ.
Hz ppm Int.2734.99 6.844 86 2734.62 6.843 90 2728.03 6.827 191 2726.81 6.823 506 2721.92 6.811 216 2720.83 6.809 147 2719.85 6.806 114 2525.76 6.320 33 2524.17 6.316 73 2522.46 6.312 73 2520.87 6.308 31 2510.13 6.281 35 2508.54 6.277 96 2506.84 6.273 98 2505.13 6.269 43 2434.20 6.091 41 2427.61 6.075 133 2421.02 6.058 135 2418.58 6.052 34 2414.43 6.042 43 2411.99 6.036 103 2405.40 6.019 105 2398.80 6.003 32 2288.70 5.727 141 1523.68 3.813 1000 735.72 1.841 362 734.01 1.837 355 729.13 1.825 353 727.42 1.821 352
-
1H NMR 89.56 MHz C10 H12 O2 0.05 ml : 0.5 ml CDCl3 trans-isoeugenol Assign. Shift(ppm)
A 6.82 B 6.28 C 6.06 D 5.71 E 3.810 F 1.83 400MHZ : HSP-42-796
Hz ppm Int.613.94 6.856 62 610.44 6.816 716 574.25 6.412 34 573.38 6.403 31 558.50 6.237 100 557.63 6.227 131 554.81 6.195 43 549.63 6.138 107 543.75 6.072 99 537.69 6.004 30 533.94 5.962 25 528.06 5.897 35 511.56 5.712 282 341.31 3.811 1000 167.19 1.867 205 166.31 1.857 302 163.63 1.828 47 161.31 1.802 296 160.44 1.792 192
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
