Product NameBis[4-(2-phenyl-2-propyl)phenyl]amine
CAS10081-67-1
Molecular FormulaC30H31N
Molecular Weight405.57
InChIInChI=1S/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3
InChIKey UJAWGGOCYUPCPS-UHFFFAOYSA-N
SmilesC1(NC2=CC=C(C(C)(C3=CC=CC=C3)C)C=C2)=CC=C(C(C)(C2=CC=CC=C2)C)C=C1
Mass
MS-KW-0228 4,4'-bis(alpha,alpha-dimethylbenzyl)diphenylamine C30H31N (Mass of molecular ion: 405)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 2.3 27.0 1.6 28.0 1.2 39.0 6.6 41.0 4.4 50.0 3.6 51.0 11.3 52.0 2.6 57.0 1.3 57.5 3.2 58.0 5.2 62.0 1.2 63.0 4.1 64.0 1.2 65.0 6.9 66.0 2.9 71.5 1.0 74.0 1.5 75.0 1.7 76.0 2.3 77.0 21.4 78.0 18.6 79.0 3.2 83.5 4.8 84.0 1.2 84.5 1.2 89.0 3.5 90.0 1.9 91.0 20.5 92.0 7.9 93.0 1.4 101.0 1.0 102.0 4.5 103.0 48.8 103.5 2.7 104.0 5.8 105.0 1.4 108.5 1.2 109.5 7.7 110.0 1.6 115.0 15.2 116.0 5.3 117.0 42.4 118.0 53.8 119.0 20.1 120.0 2.1 127.0 2.3 127.5 2.7 128.0 2.9 128.5 3.6 129.0 1.8 130.0 1.4 132.0 1.0 134.5 1.3 135.0 1.0 135.5 1.6 136.0 11.5 136.5 1.9 139.0 1.8 140.0 1.6 140.5 1.0 141.0 3.8 142.0 1.3 143.0 1.4 143.5 2.0 147.0 1.2 148.0 4.5 148.5 9.3 149.0 3.3 152.0 3.2 153.0 2.0 154.0 1.3 156.0 1.0 156.5 1.0 165.0 9.5 166.0 4.3 167.0 13.7 168.0 17.2 169.0 28.6 170.0 5.8 177.0 1.4 178.0 6.6 179.0 7.7 180.0 12.9 181.0 2.5 182.0 1.1 187.0 23.8 187.5 12.5 191.0 1.2 192.0 1.4 193.0 2.7 194.0 7.3 195.0 5.9 202.0 1.4 209.0 1.3 210.0 8.7 211.0 1.5 254.0 1.5 256.0 2.2 257.0 1.0 270.0 1.7 271.0 4.8 272.0 100.0 273.0 22.5 274.0 2.5 286.0 1.0 287.0 48.0 288.0 11.7 289.0 1.3 296.0 1.0 298.0 2.6 312.0 2.5 313.0 1.0 328.0 6.1 329.0 1.6 374.0 8.2 375.0 5.1 376.0 1.6 390.0 65.8 391.0 21.5 392.0 3.5 405.0 43.7 406.0 14.3 407.0 2.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C30H31N | 0.039 g : 0.5 ml CDCl3 |
4,4'-bis(alpha,alpha-dimethylbenzyl)diphenylamine |
Assign. Shift(ppm) |
Hz ppm Int.
2908.70 7.276 20 2908.21 7.275 19 2907.48 7.273 19 2905.89 7.269 19 2902.47 7.261 38 2899.66 7.254 276 2898.69 7.251 294 2895.02 7.242 686 2891.36 7.233 24 2889.90 7.229 35 2870.37 7.180 37 2865.73 7.169 48 2862.43 7.160 44 2861.82 7.159 46 2861.09 7.157 45 2860.48 7.156 40 2857.18 7.147 59 2855.96 7.144 34 2854.50 7.141 28 2853.15 7.137 25 2852.06 7.135 47 2848.64 7.126 23 2841.07 7.107 24 2838.26 7.100 172 2836.06 7.095 60 2831.67 7.084 69 2829.47 7.078 221 2826.67 7.071 28 2777.71 6.949 33 2775.03 6.942 222 2772.83 6.936 65 2768.32 6.925 60 2766.24 6.920 167 2763.31 6.913 19 2211.80 5.533 45 660.04 1.651 1000
in CDCl3
KBr disk
Nujol
Bis[4-(2-phenyl-2-propyl)phenyl]amine(10081-67-1) MS Atlas of Related Products
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