4-Benzylpyridine(2116-65-6) 1H NMR
Product Name4-Benzylpyridine
CAS2116-65-6
Molecular FormulaC12H11N
Molecular Weight169.22
InChIInChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
InChIKey DBOLXXRVIFGDTI-UHFFFAOYSA-N
SmilesC1=NC=CC(CC2=CC=CC=C2)=C1
-
MassMS-NW-0165 4-benzylpyridine C12H11N (Mass of molecular ion: 169)
Source Temperature: 220 °C Sample Temperature: 80 °C Reservoir, 75 eV
27.0 1.5 28.0 2.7 38.0 1.4 39.0 8.2 41.0 1.3 50.0 4.2 51.0 10.9 52.0 2.0 54.0 2.3 62.0 2.1 63.0 6.7 64.0 1.9 65.0 10.1 66.0 1.0 70.5 1.0 71.5 2.1 74.0 1.4 75.0 1.6 76.0 1.3 77.0 2.6 78.0 1.3 83.5 4.6 87.0 1.1 89.0 4.5 90.0 1.8 91.0 23.6 92.0 2.4 102.0 1.5 113.0 1.0 114.0 1.1 115.0 10.8 116.0 1.9 127.0 1.0 128.0 1.3 139.0 5.7 140.0 3.1 141.0 8.3 142.0 3.9 154.0 2.4 166.0 3.4 167.0 22.1 168.0 65.7 169.0 100.0 170.0 13.1
in DMSO-d6
400 MHz in CDCl3
90 MHz in CDCl3
-
-
1H NMR 399.65 MHz C12 H11 N 34.7 mg : 0.5 ml CDCl3 4-benzylpyridine 
Assign. Shift(ppm)
A 8.489 B 7.308 C 7.244 D 7.171 E 7.093 F 3.954
Hz ppm Int.3401.61 8.512 30 3399.05 8.506 33 3395.87 8.498 569 3394.29 8.494 354 3391.48 8.487 364 3389.77 8.482 590 2930.54 7.333 118 2929.32 7.330 219 2927.73 7.326 100 2926.15 7.322 36 2924.19 7.317 134 2922.49 7.313 558 2921.02 7.309 320 2918.58 7.303 53 2916.38 7.298 207 2914.92 7.294 476 2914.18 7.292 313 2912.72 7.289 112 2911.13 7.285 47 2909.55 7.281 39 2901.61 7.261 116 2900.51 7.258 345 2898.80 7.254 157 2896.48 7.248 34 2895.14 7.245 82 2892.82 7.239 272 2890.38 7.233 83 2886.84 7.224 60 2885.50 7.221 97 2884.16 7.217 61 2870.48 7.183 303 2869.87 7.181 409 2869.02 7.179 386 2868.41 7.178 546 2867.80 7.176 357 2866.21 7.172 147 2863.04 7.164 200 2862.30 7.163 289 2861.69 7.161 396 2861.08 7.159 360 2860.35 7.158 299 2858.64 7.153 68 2858.15 7.152 68 2837.65 7.101 552 2836.91 7.099 392 2836.06 7.097 359 2835.33 7.095 217 2833.86 7.091 231 2833.25 7.090 366 2832.28 7.087 398 2831.67 7.086 557 2826.66 7.073 30 1584.59 3.965 44 1580.32 3.955 1000
-
1H NMR 89.56 MHz C12 H11 N 0.035 g : 0.5 ml CDCl3 4-benzylpyridine Assign. Shift(ppm)
A 8.482 B 7.45 to 7.02 C 7.09 D 3.949
Hz ppm Int.762.81 8.518 538 761.19 8.500 335 758.38 8.468 344 756.75 8.450 601 657.25 7.339 165 656.81 7.334 133 655.31 7.317 220 654.13 7.304 118 652.88 7.290 225 651.81 7.278 619 650.00 7.258 766 649.44 7.252 884 648.69 7.244 598 645.13 7.204 661 642.31 7.172 231 641.19 7.160 228 640.56 7.153 174 639.81 7.144 164 639.25 7.138 134 637.31 7.117 679 636.63 7.109 460 635.69 7.098 400 635.06 7.091 267 633.63 7.075 221 632.94 7.068 338 632.00 7.057 360 631.31 7.050 507 353.69 3.950 1000
in CDCl3
in DMSO-d6
CCl4 solution
liquid film
