3,4-二甲氧基苯乙腈(93-17-4)質(zhì)譜(MS)
InChI:InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
InChIKey: ASLSUMISAQDOOB-UHFFFAOYSA-N
Smiles:C1(CC#N)=CC=C(OC)C(OC)=C1
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Mass
MS-NW-6535
(3,4-dimethoxyphenyl)acetonitrile
C10H11NO2 (Mass of molecular ion: 177)
Source Temperature: 250 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 3.6
18.0 1.2
27.0 1.3
28.0 2.1
29.0 1.2
31.0 2.1
37.0 1.4
38.0 2.7
39.0 6.2
41.0 1.1
50.0 4.7
51.0 7.9
52.0 2.1
53.0 2.1
55.0 1.3
62.0 2.5
63.0 7.3
64.0 8.1
65.0 9.7
66.0 1.9
74.0 1.1
75.0 2.3
76.0 4.5
77.0 11.1
78.0 3.6
79.0 7.1
80.0 1.2
89.0 4.2
90.0 3.4
91.0 9.0
92.0 1.8
93.0 1.2
94.0 19.6
95.0 1.7
102.0 1.4
103.0 2.7
104.0 2.8
105.0 6.4
106.0 5.4
107.0 30.1
108.0 2.8
116.0 9.4
117.0 1.3
119.0 5.3
130.0 1.9
131.0 1.7
132.0 1.5
134.0 10.6
135.0 2.3
146.0 6.4
151.0 1.4
160.0 1.0
161.0 1.7
162.0 42.7
163.0 4.4
176.0 1.9
177.0 100.0
178.0 11.4
179.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C10 H11 N O2
|
0.048 g : 0.5 ml CDCl3
|
| (3,4-dimethoxyphenyl)acetonitrile
|
 |
Assign. Shift(ppm)
A 6.86
B 6.85
C 6.814
D *1 3.885
E *1 3.872
F 3.692
A AND B WERE CONFIRMED BY LAOCN PROGRAM.
90MHZ. : HSP-03-261
|
Hz ppm Int.
2748.78 6.878 25
2747.56 6.875 22
2747.07 6.874 26
2740.60 6.858 147
2739.99 6.856 122
2738.28 6.852 291
2737.67 6.851 263
2729.98 6.831 36
2723.63 6.816 123
2722.53 6.813 119
1559.81 3.903 37
1552.73 3.886 957
1547.49 3.873 1000
1480.59 3.705 22
1479.13 3.702 29
1475.59 3.693 518
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| 1H NMR |
89.56 MHz |
| C10 H11 N O2
|
0.046 g : 0.5 ml CDCl3
|
| (3,4-dimethoxyphenyl)acetonitrile
|
|
Assign. Shift(ppm)
A 6.86
B 6.84
C 6.82
D *1 3.884
E *1 3.870
F 3.688
|
Hz ppm Int.
614.06 6.857 178
613.00 6.845 329
610.13 6.813 101
347.88 3.885 802
346.63 3.871 1000
330.31 3.689 354