2-Nitrodiphenylamine(119-75-5) MS
Product Name2-Nitrodiphenylamine
CAS119-75-5
Molecular FormulaC12H10N2O2
Molecular Weight214.22
InChIInChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
InChIKey RUKISNQKOIKZGT-UHFFFAOYSA-N
SmilesC1(NC2=CC=CC=C2)=CC=CC=C1[N+]([O-])=O
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MassMS-NW-0677 2-nitrodiphenylamine C12H10N2O2 (Mass of molecular ion: 214)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.1 27.0 2.1 28.0 1.5 30.0 1.0 38.0 2.2 39.0 7.0 50.0 5.9 51.0 18.0 52.0 3.7 53.0 1.3 62.0 1.4 63.0 5.1 64.0 3.2 65.0 3.8 66.0 1.2 69.5 2.1 70.0 1.1 70.5 2.4 74.0 1.7 75.0 2.0 76.0 2.2 77.0 18.3 78.0 2.7 82.5 1.3 83.5 7.9 84.0 4.3 89.0 1.8 90.0 2.5 91.0 1.8 92.0 1.5 94.0 1.0 113.0 1.0 114.0 1.3 115.0 3.1 116.0 1.1 118.0 1.6 127.0 1.3 128.0 2.2 129.0 2.4 130.0 1.0 131.0 1.0 132.0 1.8 139.0 7.6 140.0 5.9 141.0 1.8 154.0 2.2 155.0 1.2 156.0 2.4 157.0 4.1 160.0 1.5 166.0 14.5 167.0 67.1 168.0 20.1 169.0 20.6 170.0 2.5 179.0 2.5 180.0 22.0 181.0 7.7 182.0 1.3 183.0 2.6 184.0 1.4 185.0 1.9 197.0 12.0 198.0 1.6 214.0 100.0 215.0 14.2 216.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H10 N2 O2 0.047 g : 0.5 ml CDCl3 2-nitrodiphenylamine 
Assign. Shift(ppm)
A 9.47 B 8.18 C 7.54 to 7.07 D 6.75
Hz ppm Int.847.56 9.464 83 737.94 8.240 187 736.63 8.225 197 729.25 8.143 196 728.19 8.131 211 673.19 7.517 46 671.69 7.500 74 669.44 7.475 71 667.31 7.451 77 666.13 7.438 129 665.00 7.426 158 663.88 7.413 210 662.88 7.402 250 661.63 7.388 209 657.13 7.338 696 652.63 7.288 1000 649.19 7.249 456 647.75 7.233 565 646.13 7.215 296 644.63 7.198 297 640.56 7.153 160 638.56 7.130 107 636.56 7.108 48 612.69 6.842 148 610.88 6.821 140 606.25 6.770 125 604.25 6.747 218 602.25 6.725 133 597.81 6.675 111 595.88 6.654 107
in CDCl3
CCl4 solution
KBr disc
nujol mull
