1,8-二甲基萘(569-41-5)紅外圖譜(IR2)
InChI:InChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3
InChIKey: XAABPYINPXYOLM-UHFFFAOYSA-N
Smiles:C1(C)=C2C(C=CC=C2C)=CC=C1
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Mass
MS-NW-6299
1,8-dimethylnaphthalene
C12H12 (Mass of molecular ion: 156)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
27.0 1.1
39.0 2.8
50.0 1.7
51.0 4.1
57.5 1.2
62.0 1.5
63.0 5.3
64.0 3.6
65.0 1.2
70.5 1.9
74.0 1.6
75.0 2.3
75.5 1.7
76.0 8.5
76.5 2.9
77.0 8.0
77.5 1.0
78.0 2.8
87.0 1.1
89.0 1.5
102.0 1.1
115.0 10.1
116.0 1.2
126.0 1.2
127.0 3.8
128.0 5.9
129.0 3.2
139.0 4.7
140.0 1.3
141.0 52.1
142.0 6.8
150.0 1.1
151.0 3.1
152.0 9.6
153.0 13.6
154.0 5.7
155.0 24.0
156.0 100.0
157.0 12.8
parameter in CCl4
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C12 H12
|
in CCl4
|
| 1,8-dimethylnaphthalene
|
 |
Parameter ppm Hz
D(A) 7.128
D(B) 7.182
D(C) 7.543
J(A,B) 7.0
J(A,C) 1.8
J(B,C) 8.0
D(D) 2.907
BARTLE,K.D. & JONES,D.W. J.MOL.SPECTROSC. 32, 353 (1969)
|
Hz ppm Int.
2267.97 7.560 79
2265.96 7.553 81
2260.19 7.534 91
2258.18 7.527 94
2162.56 7.209 60
2155.57 7.185 128
2147.83 7.159 116
2142.15 7.140 119
2140.14 7.134 124
2135.16 7.117 57
2133.15 7.110 47
872.11 2.907 1000
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| 1H NMR |
399.65 MHz |
| C12 H12
|
17.9 mg : 0.5 ml CDCl3
|
| 1,8-dimethylnaphthalene
|
|
Assign. Shift(ppm)
A 7.657
B 7.277
C 7.238
D 2.923
|
Hz ppm Int.
3065.55 7.671 99
3064.45 7.668 109
3057.86 7.652 109
3056.40 7.648 122
2917.11 7.300 98
2910.03 7.282 203
2902.22 7.262 197
2899.54 7.256 28
2895.26 7.245 153
2894.53 7.243 158
2888.43 7.228 73
2887.70 7.226 71
1168.21 2.924 1000
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| 1H NMR |
89.56 MHz |
| C12 H12
|
0.049 g : 0.5 ml CDCl3
|
| 1,8-dimethylnaphthalene
|
|
Assign. Shift(ppm)
A 7.63
B 7.25
C 7.22
D 2.904
|
Hz ppm Int.
689.50 7.699 48
686.06 7.661 83
682.94 7.626 44
679.75 7.590 85
658.69 7.355 53
651.69 7.277 258
649.19 7.249 117
645.50 7.208 386
642.88 7.179 28
642.44 7.174 29
641.75 7.166 27
260.19 2.906 1000
CATION RADICAL, OXIDATION WITH SBCL5