3-BENZYLPYRIDINE(620-95-1) IR1
Product Name3-BENZYLPYRIDINE
CAS620-95-1
Molecular FormulaC12H11N
Molecular Weight169.22
InChIInChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2
InChIKey UUCLVSDUMKMBSM-UHFFFAOYSA-N
SmilesC1=NC=CC=C1CC1=CC=CC=C1
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MassMS-IW-3672 3-benzylpyridine C12H11N (Mass of molecular ion: 169)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
38.0 1.1 39.0 7.0 41.0 1.0 50.0 2.5 51.0 6.0 52.0 1.4 57.5 1.6 62.0 1.7 63.0 6.0 64.0 2.6 65.0 9.9 66.0 1.1 69.5 1.0 70.0 1.2 70.5 1.5 71.5 3.0 74.0 1.1 75.0 1.2 76.0 1.1 77.0 2.7 78.0 1.1 83.5 6.7 84.0 1.1 89.0 4.4 90.0 2.7 91.0 14.9 92.0 3.6 102.0 1.3 114.0 1.0 115.0 9.6 116.0 1.6 128.0 1.0 139.0 5.0 140.0 2.8 141.0 9.5 142.0 2.5 154.0 2.1 166.0 4.6 167.0 29.7 168.0 100.0 169.0 94.3 170.0 11.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H11 N 0.035 g : 0.5 ml CDCl3 3-benzylpyridine 
Assign. Shift(ppm)
A 8.506 B 8.452 C 7.445 D 7.291 E 7.214 F 7.19 G 7.17 J 3.962
Hz ppm Int.3399.41 8.506 171 3379.76 8.457 121 3375.85 8.448 124 2982.06 7.462 112 2980.35 7.458 170 2979.74 7.456 167 2978.03 7.452 113 2974.24 7.443 134 2972.53 7.438 198 2971.92 7.437 195 2970.21 7.433 130 2923.58 7.316 129 2922.49 7.313 212 2920.90 7.309 94 2917.24 7.300 140 2915.53 7.296 575 2914.18 7.292 295 2909.30 7.280 191 2907.96 7.277 465 2905.88 7.272 98 2891.72 7.236 106 2890.26 7.232 211 2888.92 7.229 149 2885.13 7.220 80 2882.93 7.214 276 2880.62 7.208 84 2875.61 7.196 233 2874.27 7.192 94 2869.38 7.180 478 2868.65 7.178 532 2868.04 7.177 626 2865.84 7.171 159 2862.55 7.163 281 2861.94 7.162 315 2861.21 7.160 397 2860.60 7.158 371 2859.86 7.156 299 2857.79 7.151 61 1583.50 3.963 1000
in CDCl3
KBr disc
liquid film
nujol mull
