二苯二硫醚(882-33-7)核磁圖(1HNMR)
InChI:InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKey: GUUVPOWQJOLRAS-UHFFFAOYSA-N
Smiles:S(C1=CC=CC=C1)SC1=CC=CC=C1
-
Mass
MS-NW-4531
diphenyl disulfide
C12H10S2 (Mass of molecular ion: 218)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
38.0 1.6
39.0 12.4
45.0 4.0
50.0 3.0
51.0 8.7
57.0 1.2
58.0 1.5
63.0 2.6
65.0 27.7
66.0 2.8
69.0 9.8
77.0 8.8
78.0 1.3
82.0 2.4
83.0 1.6
108.0 6.0
109.0 92.2
110.0 10.2
111.0 4.5
140.0 5.2
141.0 4.0
152.0 1.0
153.0 1.4
154.0 14.7
155.0 2.0
184.0 4.8
185.0 12.1
186.0 4.2
187.0 1.0
217.0 1.2
218.0 100.0
219.0 15.0
220.0 10.0
221.0 1.3
parameter in acetone-d6
parameter in CDCl3
parameter in CS2
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C12 H10 S2
|
5 mol% in acetone-d6
|
| diphenyl disulfide
|
 |
Parameter ppm Hz
D(A) 7.427
D(B) 7.187
D(C) 7.113
J(A,A') 2.12
J(A,B) 7.84
J(A,B') 0.54
J(A,C) 1.21
J(A',B) 0.54
J(A',B') 7.84
J(A',C) 1.21
J(B,B') 1.52
J(B,C) 7.50
J(B',C) 7.50
PAPPALARDO,G.C. & GRUTTADAURIA,S. Z.PHYS.CHEM. 94, 179 (1975)
|
Hz ppm Int.
2233.13 7.444 567
2231.67 7.439 912
2229.58 7.432 248
2226.31 7.421 428
2225.70 7.419 439
2224.79 7.416 813
2223.58 7.412 798
2221.05 7.403 103
2165.05 7.217 246
2163.66 7.212 400
2161.83 7.206 174
2159.04 7.197 161
2156.60 7.189 1000
2155.04 7.183 494
2150.58 7.169 339
2149.15 7.164 666
2146.59 7.155 102
2141.32 7.138 271
2139.91 7.133 510
2138.54 7.128 277
2135.11 7.117 159
2132.70 7.109 482
2129.89 7.100 102
2126.66 7.089 87
2125.34 7.084 143
2124.05 7.080 73
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| 1H NMR |
300 MHz |
| C12 H10 S2
|
5 mol% in CDCl3
|
| diphenyl disulfide
|
|
Parameter ppm Hz
D(A) 7.500
D(B) 7.277
D(C) 7.200
J(A,A') 2.04
J(A,B) 7.52
J(A,B') 0.53
J(A,C) 1.42
J(A',B) 0.53
J(A',B') 7.52
J(A',C) 1.42
J(B,B') 1.62
J(B,C) 7.21
J(B',C) 7.21
PAPPALARDO,G.C. & GRUTTADAURIA,S. Z.PHYS.CHEM. 94, 179 (1975)
|
Hz ppm Int.
2254.98 7.517 555
2253.43 7.511 859
2251.31 7.504 243
2248.26 7.494 372
2246.96 7.490 776
2245.53 7.485 759
2243.06 7.477 99
2191.62 7.305 246
2190.38 7.301 424
2188.56 7.295 174
2183.53 7.278 1000
2182.05 7.273 498
2177.75 7.259 320
2176.35 7.254 622
2173.81 7.246 94
2167.46 7.225 248
2165.90 7.220 466
2164.36 7.215 249
2161.42 7.205 154
2158.81 7.196 395
2156.14 7.187 104
2153.33 7.178 86
2151.83 7.173 143
2150.35 7.168 72
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| 1H NMR |
300 MHz |
| C12 H10 S2
|
5 mol% in CS2
|
| diphenyl disulfide
|
|
Parameter ppm Hz
D(A) 7.298
D(B) 7.032
D(C) 6.930
J(A,A') 1.95
J(A,B) 7.67
J(A,B') 0.50
J(A,C) 1.17
J(A',B) 0.50
J(A',B') 7.67
J(A',C) 1.17
J(B,B') 1.57
J(B,C) 7.37
J(B',C) 7.37
PAPPALARDO,G.C. & GRUTTADAURIA,S. Z.PHYS.CHEM. 94, 179 (1975)
|
Hz ppm Int.
2194.28 7.314 583
2192.95 7.310 828
2190.98 7.303 231
2187.01 7.290 462
2186.10 7.287 785
2185.00 7.283 776
2182.71 7.276 103
2118.99 7.063 117
2118.02 7.060 271
2117.07 7.057 454
2115.37 7.051 174
2109.96 7.033 1000
2108.62 7.029 450
2103.91 7.013 284
2102.53 7.008 585
2100.24 7.001 95
2086.61 6.955 223
2085.36 6.951 408
2084.11 6.947 225
2080.17 6.934 152
2078.07 6.927 445
2075.92 6.920 120
2072.07 6.907 95
2070.85 6.903 161
2069.64 6.899 86
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| 1H NMR |
89.56 MHz |
| C12 H10 S2
|
0.046 g : 0.5 ml CDCl3
|
| diphenyl disulfide
|
|
Assign. Shift(ppm)
A 7.47
B 7.29
C 7.24
|
Hz ppm Int.
677.69 7.567 36
676.94 7.559 31
675.81 7.546 311
675.13 7.539 123
674.50 7.532 90
673.69 7.523 171
673.25 7.518 173
672.69 7.512 152
672.19 7.506 172
671.31 7.496 170
670.75 7.490 190
670.19 7.484 180
669.56 7.477 145
668.50 7.465 216
667.56 7.454 585
665.81 7.435 556
664.75 7.423 110
662.88 7.402 120
661.25 7.384 127
660.44 7.375 125
659.56 7.365 86
657.44 7.341 120
656.75 7.334 265
655.75 7.322 102
655.00 7.314 144
653.56 7.298 162
652.81 7.290 473
652.06 7.281 532
650.13 7.260 306
649.56 7.253 394
646.63 7.221 678
645.69 7.210 213
644.88 7.201 1000
642.88 7.179 142
642.25 7.172 114
641.69 7.165 71
640.63 7.154 78
636.44 7.107 31
PHOTOLYSIS IN BENZENE AND NITROSOBENZENE