N-Benzylideneaniline(538-51-2) Raman
Product NameN-Benzylideneaniline
CAS538-51-2
Molecular FormulaC13H11N
Molecular Weight181.23
InChIInChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H
InChIKey UVEWQKMPXAHFST-UHFFFAOYSA-N
SmilesC1(N=CC2=CC=CC=C2)=CC=CC=C1
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MassMS-NW-5563 N-benzylideneaniline C13H11N (Mass of molecular ion: 181)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.7 28.0 1.3 38.0 1.1 39.0 3.8 50.0 4.4 51.0 20.3 52.0 3.0 62.0 1.1 63.0 3.2 64.0 1.8 74.0 1.3 75.0 1.4 76.0 4.9 77.0 58.6 77.5 1.1 78.0 13.8 89.0 4.0 89.5 2.1 90.0 3.3 90.5 3.1 103.0 1.1 104.0 14.5 105.0 1.3 151.0 1.1 152.0 3.2 153.0 1.4 179.0 1.5 180.0 95.2 181.0 100.0 182.0 13.7 183.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C13 H11 N 0.040 g : 0.5 ml CDCl3 N-benzylideneaniline 
Assign. Shift(ppm)
A 8.433 B 7.891 C 7.46 D 7.378 E 7.22 F 7.20
Hz ppm Int.3370.36 8.434 886 3159.55 7.906 341 3157.35 7.901 396 3153.93 7.892 351 3153.20 7.890 348 3151.98 7.887 207 3150.63 7.884 223 3149.54 7.881 359 2987.06 7.475 99 2986.45 7.473 102 2985.23 7.470 148 2983.03 7.465 1000 2980.83 7.459 815 2977.54 7.451 494 2976.20 7.448 499 2974.37 7.443 119 2972.29 7.438 127 2957.64 7.401 298 2956.79 7.399 164 2955.81 7.396 143 2951.54 7.386 219 2949.46 7.381 619 2948.49 7.378 275 2944.09 7.367 188 2942.26 7.363 425 2940.19 7.357 99 2894.04 7.242 106 2892.82 7.239 217 2891.60 7.236 200 2887.08 7.225 101 2885.38 7.220 453 2884.16 7.217 778 2883.06 7.214 675 2882.32 7.213 431 2881.47 7.210 493 2879.27 7.205 112 2877.69 7.201 291 2876.83 7.199 348 2875.73 7.196 635 2874.63 7.193 403 2872.44 7.188 74
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1H NMR 89.56 MHz C13 H11 N 0.045 g : 0.5 ml CDCl3 N-benzylideneaniline Assign. Shift(ppm)
A 8.42 B 7.88 C 7.44 D 7.44 E 7.38 F 7.19 G 7.19
Hz ppm Int.753.94 8.419 953 711.06 7.940 252 709.25 7.920 193 708.56 7.912 252 708.06 7.906 218 706.75 7.892 234 705.44 7.877 307 704.31 7.865 266 702.75 7.847 205 701.50 7.833 390 700.25 7.819 149 697.81 7.792 86 675.38 7.542 57 672.94 7.514 119 670.19 7.484 305 669.25 7.473 1000 668.00 7.459 460 666.25 7.440 823 665.38 7.430 375 664.81 7.424 362 664.31 7.418 368 662.75 7.401 726 661.19 7.383 292 660.38 7.374 326 660.00 7.370 335 659.44 7.364 400 657.63 7.343 124 656.06 7.326 107 654.50 7.308 686 653.81 7.301 690 651.88 7.279 198 650.38 7.262 303 649.56 7.253 570 648.94 7.246 401 647.94 7.235 716 647.56 7.231 741 647.06 7.225 744 644.00 7.191 443 641.88 7.168 189 640.44 7.151 318 639.81 7.144 284 638.38 7.128 198 636.50 7.107 101 635.06 7.091 81
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
