4-DIMETHYLAMINO-4'-NITROSTILBENE(2844-15-7) IR1
Product Name4-DIMETHYLAMINO-4'-NITROSTILBENE
CAS2844-15-7
Molecular FormulaC16H16N2O2
Molecular Weight268.31
InChIInChI=1S/C16H16N2O2/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(19)20/h3-12H,1-2H3/b4-3+
InChIKey NVLSIZITFJRWPY-ONEGZZNKSA-N
SmilesC1(N(C)C)=CC=C(/C=C/C2=CC=C([N+]([O-])=O)C=C2)C=C1
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MassMS-IW-6152 trans-N,N-dimethyl-4'-nitro-4-stilbenamine C16H16N2O2 (Mass of molecular ion: 268)
Source Temperature: 150 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 3.0 42.0 2.1 76.0 1.5 88.0 1.0 89.0 1.9 102.0 1.4 102.5 1.7 110.0 1.5 110.5 3.7 111.0 1.4 134.0 1.5 151.0 1.2 152.0 1.8 165.0 4.0 166.0 1.9 176.0 2.2 177.0 2.6 178.0 11.3 179.0 5.6 180.0 1.1 191.0 1.2 192.0 1.7 204.0 1.0 205.0 1.4 206.0 3.5 207.0 8.9 208.0 2.0 220.0 3.4 221.0 5.4 222.0 17.1 223.0 3.3 238.0 3.6 252.0 1.0 263.0 1.1 267.0 13.0 268.0 100.0 269.0 17.9 270.0 2.0
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C16 H16 N2 O2 0.016 g : 0.5 ml CDCl3 trans-N,N-dimethyl-4'-nitro-4-stilbenamine 
Assign. Shift(ppm)
A 8.158 B 7.53 C 7.43 D *1 7.18 E *1 6.92 F 6.711 G 3.004 J(D,E)=16.1HZ
Hz ppm Int.735.38 8.212 90 733.50 8.191 37 728.38 8.133 44 726.50 8.112 122 679.38 7.586 113 677.50 7.565 46 672.31 7.507 48 670.13 7.483 117 667.75 7.456 43 662.75 7.401 41 660.88 7.380 102 654.19 7.305 35 638.00 7.124 82 624.75 6.976 79 608.56 6.795 31 608.25 6.792 32 604.94 6.755 101 602.75 6.731 36 598.13 6.679 32 595.88 6.654 75 273.38 3.053 32 269.06 3.005 1000
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1H NMR 399.65 MHz C16 H16 N2 O2 saturated in CDCl3 trans-N,N-dimethyl-4'-nitro-4-stilbenamine Assign. Shift(ppm)
A 8.182 B 7.565 C 7.450 D 7.213 E 6.933 F 6.719 G 3.023
Hz ppm Int.3274.54 8.194 102 3272.71 8.189 42 3267.46 8.176 39 3265.63 8.172 112 3027.95 7.577 99 3026.00 7.572 42 3019.04 7.555 96 2982.18 7.462 89 2980.35 7.458 38 2974.98 7.444 36 2973.39 7.440 96 2891.97 7.237 46 2875.73 7.196 59 2778.08 6.952 59 2761.72 6.911 46 2689.70 6.731 98 2687.99 6.726 40 2682.86 6.714 35 2680.79 6.708 92 1208.13 3.023 1000
in CDCl3
in DMSO-d6
KBr disc
nujol mull
