3-METHYL-5-PHENYLPYRIDINE(10477-94-8) MS
Product Name3-METHYL-5-PHENYLPYRIDINE
CAS10477-94-8
Molecular FormulaC12H11N
Molecular Weight169.22
InChIInChI=1S/C12H11N/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey VPFKZMSXKPTQJG-UHFFFAOYSA-N
SmilesC1=NC=C(C2=CC=CC=C2)C=C1C
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MassMS-IW-4779 3-methyl-5-phenylpyridine C12H11N (Mass of molecular ion: 169)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 2.5 50.0 1.4 51.0 2.6 52.0 1.0 57.5 1.9 63.0 2.8 65.0 1.3 69.5 1.3 70.0 1.9 70.5 1.6 71.0 4.3 74.0 1.2 75.0 1.3 76.0 2.3 77.0 2.5 83.5 1.4 84.5 2.2 89.0 1.6 91.0 1.3 102.0 4.6 115.0 9.2 116.0 1.8 126.0 1.1 127.0 2.7 128.0 1.9 139.0 3.2 140.0 1.6 141.0 12.5 142.0 3.7 143.0 1.0 153.0 1.5 154.0 5.4 166.0 1.7 167.0 11.4 168.0 31.4 169.0 100.0 170.0 13.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H11 N 0.05 ml : 0.5 ml CDCl3 3-methyl-5-phenylpyridine 
Assign. Shift(ppm)
A 8.634 B 8.390 C 7.597 D 7.508 E 7.406 F 7.341 G 2.324
Hz ppm Int.3451.42 8.637 234 3449.58 8.632 233 3354.49 8.394 213 3353.88 8.393 228 3352.42 8.389 226 3351.81 8.387 215 3038.94 7.605 143 3038.21 7.603 159 3036.74 7.599 241 3036.01 7.597 238 3034.67 7.594 149 3033.94 7.592 131 3007.20 7.525 254 3005.74 7.521 346 3003.66 7.516 108 2999.76 7.506 204 2998.78 7.504 388 2997.56 7.501 351 2995.36 7.495 72 2969.24 7.430 144 2968.14 7.427 227 2966.31 7.423 87 2960.94 7.409 420 2959.47 7.406 220 2954.83 7.394 134 2953.37 7.390 236 2951.17 7.385 56 2940.80 7.359 112 2939.33 7.355 199 2937.99 7.352 116 2934.33 7.343 80 2932.01 7.337 208 2929.69 7.331 59 2926.15 7.322 51 2924.80 7.319 81 2923.46 7.316 46 929.08 2.325 1000 928.34 2.323 941
in CDCl3
liquid film
