DIPHENYL DISULFIDE(882-33-7) ESR
Product NameDIPHENYL DISULFIDE
CAS882-33-7
Molecular FormulaC12H10S2
Molecular Weight218.34
InChIInChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKey GUUVPOWQJOLRAS-UHFFFAOYSA-N
SmilesS(C1=CC=CC=C1)SC1=CC=CC=C1
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MassMS-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
in CDCl3
KBr disc
nujol mull
PHOTOLYSIS IN BENZENE AND NITROSOBENZENE
