2-Benzylpyridine(101-82-6) Raman
Product Name2-Benzylpyridine
CAS101-82-6
Molecular FormulaC12H11N
Molecular Weight169.22
InChIInChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
InChIKey PCFUWBOSXMKGIP-UHFFFAOYSA-N
SmilesC1(CC2=CC=CC=C2)=NC=CC=C1
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MassMS-NW-8485 2-benzylpyridine C12H11N (Mass of molecular ion: 169)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 3.7 27.0 2.1 28.0 1.3 39.0 5.5 41.0 1.0 50.0 3.6 51.0 11.4 52.0 2.9 62.0 1.2 63.0 3.7 64.0 1.2 65.0 6.6 74.0 1.0 75.0 1.1 76.0 1.4 77.0 13.5 78.0 4.3 83.5 4.8 84.0 1.6 89.0 2.7 90.0 1.1 91.0 5.9 105.0 9.9 115.0 2.7 139.0 2.2 140.0 1.5 141.0 2.0 154.0 3.5 155.0 10.9 156.0 1.3 166.0 3.1 167.0 21.8 168.0 100.0 169.0 23.9 170.0 2.4 182.0 4.8 183.0 3.0
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C12 H11 N 0.028 g : 0.5 ml CDCl3 2-benzylpyridine 
Assign. Shift(ppm)
A 8.54 B 7.535 C 7.35 to 7.18 D 7.09 E 4.153
Hz ppm Int.768.50 8.581 60 766.69 8.561 54 765.94 8.553 74 762.88 8.519 82 761.75 8.506 62 760.94 8.497 64 677.31 7.563 65 676.13 7.550 55 675.25 7.540 66 669.94 7.481 77 668.06 7.460 81 654.19 7.305 50 652.63 7.288 115 650.25 7.261 1000 648.25 7.239 287 646.31 7.217 86 645.56 7.209 69 643.88 7.190 45 641.25 7.161 48 640.19 7.149 108 639.13 7.137 133 637.63 7.120 133 635.94 7.101 105 634.50 7.085 47 633.63 7.075 55 633.19 7.071 45 631.81 7.055 89 630.88 7.045 75 629.56 7.030 65 629.13 7.025 64 628.75 7.021 63 627.44 7.006 45 372.00 4.154 457
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1H NMR 399.65 MHz C12 H11 N 28.3 mg : 0.5 ml CDCl3 2-benzylpyridine Assign. Shift(ppm)
A 8.546 B 7.559 C 7.30 D 7.27 E 7.26 F 7.217 G 7.097 J 4.159 J(A,D)=5.6HZ. J(A,B)=1.8HZ.
Hz ppm Int.3419.56 8.557 143 3417.72 8.552 157 3417.11 8.551 156 3413.94 8.543 165 3412.60 8.539 141 3411.99 8.538 139 3029.79 7.582 134 3027.95 7.577 139 3022.22 7.563 276 3020.39 7.558 214 3014.53 7.543 159 3012.57 7.539 157 2926.51 7.323 85 2925.42 7.320 143 2923.83 7.316 83 2921.75 7.311 47 2919.19 7.305 202 2918.09 7.302 402 2917.24 7.300 303 2915.89 7.297 81 2914.92 7.294 64 2913.45 7.291 154 2911.25 7.285 569 2910.40 7.283 426 2909.79 7.281 232 2908.33 7.278 325 2907.84 7.276 452 2907.23 7.275 379 2906.13 7.272 587 2903.20 7.265 128 2901.12 7.260 136 2900.76 7.259 141 2899.41 7.255 251 2898.93 7.254 359 2898.07 7.252 126 2897.58 7.251 129 2896.12 7.247 52 2894.78 7.244 42 2893.80 7.241 45 2891.24 7.235 132 2889.77 7.231 134 2887.57 7.226 91 2885.01 7.219 95 2884.52 7.218 78 2883.91 7.217 94 2882.69 7.214 230 2880.00 7.207 63 2878.17 7.202 43 2877.69 7.201 60 2877.20 7.200 40 2875.73 7.196 86 2874.02 7.192 47 2843.87 7.116 69 2842.65 7.113 254 2842.29 7.112 271 2841.92 7.112 287 2841.43 7.110 212 2840.21 7.107 242 2838.62 7.103 240 2837.40 7.100 127 2836.91 7.099 113 2836.30 7.097 120 2835.08 7.094 239 2834.59 7.093 243 2834.23 7.092 261 2832.28 7.087 249 2831.54 7.086 172 2831.05 7.084 206 2829.96 7.082 109 1662.35 4.160 1000
in CDCl3
CCl4 solution
liquid film
