2-BIPHENYLYL ISOCYANATE(17337-13-2) MS
Product Name2-BIPHENYLYL ISOCYANATE
CAS17337-13-2
Molecular FormulaC13H9NO
Molecular Weight195.22
InChIInChI=1S/C13H9NO/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H
InChIKey IHHUGFJSEJSCGE-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC=C1N=C=O
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MassMS-IW-9296 2-biphenylyl isocyanate C13H9NO (Mass of molecular ion: 195)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.5 38.0 1.2 39.0 4.4 50.0 3.4 51.0 5.7 52.0 1.4 62.0 2.8 63.0 6.0 64.0 1.6 65.0 1.3 69.0 2.5 69.5 5.8 70.0 3.3 70.5 6.0 74.0 2.3 75.0 3.0 76.0 2.6 77.0 2.7 82.5 3.0 83.0 1.6 83.5 16.3 84.0 2.3 86.0 1.2 87.0 1.9 88.0 2.2 89.0 2.7 97.5 1.8 101.0 1.1 102.0 1.2 113.0 2.8 114.0 2.6 115.0 3.8 126.0 1.1 138.0 1.2 139.0 13.3 140.0 10.9 141.0 1.8 151.0 1.4 152.0 1.9 164.0 1.7 165.0 1.6 166.0 20.6 167.0 65.4 168.0 9.2 194.0 1.2 195.0 100.0 196.0 14.7 197.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H9 N O 0.05 ml : 0.5 ml CDCl3 2-biphenylyl isocyanate 
Assign. Shift(ppm)
A 7.41 B 7.38 C 7.36 D 7.282 E 7.232 F 7.193 G 7.115
Hz ppm Int.2973.75 7.441 161 2972.41 7.438 234 2970.83 7.434 137 2969.73 7.431 89 2966.55 7.423 391 2965.33 7.420 581 2963.87 7.417 504 2960.94 7.409 247 2958.50 7.403 916 2957.64 7.401 725 2955.69 7.396 629 2953.74 7.391 1000 2953.13 7.390 871 2950.44 7.383 209 2948.24 7.378 473 2946.90 7.374 596 2945.68 7.371 286 2944.95 7.369 275 2944.21 7.367 180 2942.50 7.363 208 2940.92 7.359 204 2939.82 7.356 389 2936.52 7.348 102 2935.06 7.345 114 2932.98 7.339 148 2915.89 7.297 263 2915.41 7.295 277 2913.94 7.292 319 2913.33 7.290 291 2908.45 7.278 423 2906.62 7.273 445 2906.13 7.272 417 2900.63 7.258 170 2898.68 7.254 175 2893.19 7.240 470 2891.24 7.235 352 2885.62 7.221 482 2883.54 7.216 368 2881.10 7.210 412 2879.39 7.205 463 2873.66 7.191 439 2872.19 7.187 378 2866.21 7.172 172 2864.75 7.169 135 2848.39 7.128 395 2847.90 7.126 404 2846.56 7.123 400 2840.82 7.109 284 2840.21 7.107 307 2839.11 7.104 287 2838.62 7.103 262
in CDCl3
liquid film
