4,4'-二甲基聯(lián)苯(613-33-2)質(zhì)譜(MS)
InChI:InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey: RZTDESRVPFKCBH-UHFFFAOYSA-N
Smiles:C1(C2=CC=C(C)C=C2)=CC=C(C)C=C1
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Mass
MS-NW-4599
4,4'-dimethylbiphenyl
C14H14 (Mass of molecular ion: 182)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
39.0 2.5
51.0 1.8
63.0 2.5
64.0 1.1
65.0 1.8
76.0 2.8
77.0 2.2
82.0 1.0
82.5 1.3
83.0 1.3
89.0 4.9
90.0 5.5
91.0 5.5
115.0 3.6
127.0 1.0
128.0 2.3
139.0 1.6
141.0 2.1
151.0 1.1
152.0 6.1
153.0 2.4
164.0 1.2
165.0 21.9
166.0 10.9
167.0 35.3
168.0 5.1
178.0 2.8
179.0 2.3
180.0 1.7
181.0 26.5
182.0 100.0
183.0 15.0
184.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C14 H14
|
0.047 g : 0.5 ml CDCl3
|
| 4,4'-dimethylbiphenyl
|
 |
Assign. Shift(ppm)
A 7.45
B 7.21
C 2.36
|
Hz ppm Int.
672.56 7.510 210
670.63 7.489 85
666.31 7.440 111
664.25 7.417 449
662.56 7.398 93
649.06 7.248 312
648.56 7.242 331
642.69 7.177 63
640.69 7.154 195
640.00 7.147 139
211.56 2.363 1000
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| 1H NMR |
399.65 MHz |
| C14 H14
|
0.034 g : 0.5 ml CDCl3
|
| 4,4'-dimethylbiphenyl
|
|
Assign. Shift(ppm)
A 7.466
B 7.220
C 2.372
|
Hz ppm Int.
2990.36 7.483 65
2988.28 7.478 352
2986.45 7.473 132
2982.06 7.462 147
2980.10 7.457 411
2978.03 7.452 69
2891.48 7.236 62
2889.40 7.230 285
2888.92 7.229 321
2886.84 7.224 105
2883.06 7.214 100
2880.98 7.209 282
2880.37 7.208 231
2878.42 7.203 45
948.00 2.373 1000
CATION RADICAL, OXIDATION WITH SBCL5
ANION RADICAL, REDUCTION WITH K METAL IN DME
ANION RADICAL, REDUCTION WITH K METAL IN THF