4-NITRODIPHENYLMETHANE(1817-77-2) IR1
Product Name4-NITRODIPHENYLMETHANE
CAS1817-77-2
Molecular FormulaC13H11NO2
Molecular Weight213.23
InChIInChI=1S/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey IDSGFSCSMXRJON-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(CC2=CC=CC=C2)C=C1
-
MassMS-IW-5097 p-benzylnitrobenzene C13H11NO2 (Mass of molecular ion: 213)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
30.0 1.2 39.0 6.2 41.0 1.0 50.0 3.3 51.0 6.5 52.0 1.2 57.5 2.2 62.0 2.1 63.0 8.7 64.0 2.0 65.0 11.0 69.5 4.0 70.0 1.0 70.5 3.2 74.0 1.9 75.0 2.2 76.0 3.6 77.0 17.9 78.0 2.9 81.0 1.4 81.5 3.1 82.0 10.7 82.5 13.5 83.0 8.9 83.5 2.2 87.0 1.5 89.0 9.2 90.0 4.2 91.0 29.1 92.0 2.5 102.0 1.7 105.0 1.6 106.0 1.3 107.0 21.0 108.0 1.5 113.0 1.2 115.0 9.1 116.0 1.0 126.0 1.2 127.0 2.4 128.0 7.6 129.0 1.7 139.0 5.5 140.0 1.0 141.0 2.3 151.0 3.6 152.0 33.5 153.0 8.4 154.0 3.0 155.0 2.2 163.0 4.6 164.0 6.7 165.0 74.1 166.0 49.6 167.0 45.1 168.0 7.1 178.0 2.4 179.0 1.8 181.0 1.2 182.0 1.9 183.0 2.3 195.0 1.1 196.0 17.9 197.0 3.7 212.0 4.7 213.0 100.0 214.0 14.8 215.0 1.4
400 MHz in CDCl3
-
1H NMR 399.65 MHz C13 H11 N O2 0.05 ml : 0.5 ml CDCl3 p-benzylnitrobenzene 
Assign. Shift(ppm)
A 8.094 B 7.30 C 7.227 D 7.162 E 4.046
Hz ppm Int.3241.70 8.112 115 3239.26 8.106 754 3237.18 8.101 258 3232.42 8.089 277 3230.35 8.083 777 3227.91 8.077 115 2926.03 7.322 214 2924.93 7.319 337 2923.34 7.315 510 2922.73 7.314 727 2922.12 7.312 533 2921.39 7.310 269 2920.65 7.309 277 2919.92 7.307 254 2917.97 7.302 643 2916.63 7.298 450 2915.28 7.295 301 2914.55 7.293 535 2913.94 7.292 680 2913.33 7.290 395 2911.87 7.287 281 2910.40 7.283 515 2909.67 7.281 364 2908.33 7.278 119 2895.39 7.245 125 2894.04 7.242 246 2892.58 7.238 157 2888.92 7.229 94 2886.72 7.224 292 2884.28 7.218 83 2881.10 7.210 102 2879.27 7.205 103 2877.93 7.202 57 2866.94 7.174 330 2866.33 7.173 447 2865.48 7.170 411 2864.87 7.169 545 2862.67 7.163 143 2859.38 7.155 225 2858.76 7.154 312 2858.15 7.152 413 2857.42 7.150 388 2856.81 7.149 324 2854.61 7.143 57 1617.19 4.047 1000
in CDCl3
liquid film
