4-BENZYLANILINE(1135-12-2) 1H NMR
Product Name4-BENZYLANILINE
CAS1135-12-2
Molecular FormulaC13H13N
Molecular Weight183.25
InChIInChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2
InChIKey WDTRNCFZFQIWLM-UHFFFAOYSA-N
SmilesC1(N)=CC=C(CC2=CC=CC=C2)C=C1
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MassMS-IW-4866 p-benzylaniline C13H13N (Mass of molecular ion: 183)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.0 28.0 1.1 30.0 1.8 39.0 3.2 41.0 1.0 50.0 1.3 51.0 3.8 52.0 2.2 53.0 2.0 54.0 1.5 63.0 2.8 64.0 1.2 65.0 4.9 66.0 1.3 76.0 2.3 77.0 9.7 78.0 4.0 78.5 3.2 79.0 4.3 80.0 1.5 83.0 1.3 83.5 1.4 89.0 2.8 89.5 1.9 90.0 5.1 90.5 7.1 91.0 6.8 91.5 4.2 92.0 1.4 93.0 1.5 104.0 4.7 105.0 3.0 106.0 66.3 107.0 16.8 108.0 1.2 115.0 3.5 127.0 1.7 128.0 2.1 129.0 1.0 139.0 1.4 141.0 1.8 151.0 1.1 152.0 5.2 153.0 4.4 154.0 1.7 155.0 2.0 163.0 1.0 164.0 1.5 165.0 16.4 166.0 5.3 167.0 14.4 168.0 10.8 169.0 2.2 180.0 9.3 181.0 5.1 182.0 66.3 183.0 100.0 184.0 14.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H13 N 0.039 g : 0.5 ml CDCl3 p-benzylaniline 
Assign. Shift(ppm)
A 7.251 B 7.17 C 7.16 D 6.958 E 6.585 F 3.857 G 3.4
Hz ppm Int.2908.45 7.278 43 2906.86 7.274 141 2906.01 7.272 225 2904.42 7.268 106 2903.20 7.265 65 2900.76 7.259 147 2899.41 7.255 314 2898.56 7.253 442 2897.58 7.251 352 2895.63 7.246 154 2891.24 7.235 470 2889.53 7.231 121 2871.09 7.185 157 2867.92 7.177 282 2865.23 7.170 513 2864.38 7.168 489 2862.43 7.163 291 2861.08 7.159 344 2857.54 7.151 354 2856.93 7.149 360 2856.20 7.147 332 2854.13 7.142 143 2787.96 6.977 82 2785.40 6.970 561 2783.33 6.965 211 2778.93 6.954 219 2776.86 6.949 617 2774.29 6.942 92 2638.55 6.603 101 2635.99 6.596 683 2633.91 6.591 240 2629.52 6.580 226 2627.56 6.575 615 2624.88 6.568 86 1541.75 3.858 1000 1367.55 3.422 58
in CDCl3
KBr disc
nujol mull
