(E)-2-甲氧基-4-(1-丙烯基苯酚)(5932-68-3)紅外圖譜(IR2)
InChI:InChI=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
Smiles:C1(O)=CC=C(/C=C/C)C=C1OC
-
Mass
MS-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