1，5-二甲基萘(571-61-9)Raman光譜
InChI:InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3
InChIKey: SDDBCEWUYXVGCQ-UHFFFAOYSA-N
Smiles:C1(C)=C2C(C(C)=CC=C2)=CC=C1
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Mass
MS-NW-4406
1,5-dimethylnaphthalene
C12H12 (Mass of molecular ion: 156)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 1.1
39.0 2.5
50.0 1.6
51.0 3.9
57.5 1.2
62.0 1.4
63.0 4.6
64.0 3.8
65.0 1.1
70.5 2.1
74.0 1.4
75.0 1.7
76.0 5.9
76.5 1.6
77.0 7.5
77.5 1.1
78.0 3.0
89.0 1.4
102.0 1.1
115.0 11.2
116.0 1.5
126.0 1.2
127.0 4.3
128.0 7.2
129.0 4.1
139.0 5.4
140.0 2.1
141.0 58.3
142.0 8.9
151.0 2.0
152.0 7.1
153.0 9.6
154.0 3.8
155.0 28.3
156.0 100.0
157.0 12.1
220.0 2.0
222.0 2.0
parameter in CDCl3
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C12 H12
|
11 wt% in CDCl3
|
| 1,5-dimethylnaphthalene
|
 |
Parameter ppm Hz
D(A) 7.253
D(B) 7.327
D(C) 7.805
J(A,B) 6.9
J(A,C) 1.0
J(B,C) 8.8
D(D) 2.628
BARTLE,K.D. & JONES,D.W. J.MOL.SPECTROSC. 32, 353 (1969)
|
Hz ppm Int.
2346.56 7.822 85
2345.40 7.818 86
2337.92 7.793 97
2336.81 7.789 98
2206.26 7.354 67
2199.36 7.331 113
2197.67 7.326 55
2190.81 7.303 108
2179.42 7.265 117
2178.26 7.261 122
2172.51 7.242 68
2171.35 7.238 60
788.41 2.628 1000
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| 1H NMR |
89.56 MHz |
| C12 H12
|
0.043 g : 0.5 ml CDCl3
|
| 1,5-dimethylnaphthalene
|
|
Assign. Shift(ppm)
A 7.84
B 7.38
C 7.31
D 2.673
|
Hz ppm Int.
708.31 7.909 52
705.94 7.883 65
701.75 7.836 41
700.94 7.827 61
699.94 7.816 61
698.63 7.801 84
668.94 7.470 63
662.00 7.392 182
656.13 7.327 107
654.50 7.308 317
649.88 7.257 27
649.06 7.248 27
239.50 2.675 1000
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| 1H NMR |
399.65 MHz |
| C12 H12
|
13.3 mg : 0.5 ml CDCl3
|
| 1,5-dimethylnaphthalene
|
|
Assign. Shift(ppm)
A 7.876
B 7.404
C 7.325
D 2.697
|
Hz ppm Int.
3151.86 7.887 120
3143.55 7.866 133
2967.16 7.425 95
2960.33 7.408 147
2958.86 7.404 99
2951.90 7.387 135
2930.30 7.333 146
2923.46 7.316 98
1078.00 2.698 1000
CATION RADICAL, OXIDATION WITH SBCL5