1-Benzylimidazole(4238-71-5) IR2
Product Name1-Benzylimidazole
CAS4238-71-5
Molecular FormulaC10H10N2
Molecular Weight158.2
InChIInChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
InChIKey KKKDZZRICRFGSD-UHFFFAOYSA-N
SmilesC1N(CC2=CC=CC=C2)C=CN=1
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MassMS2014-05047CW 1-benzylimidazole C10H10N2 (Mass of molecular ion: 158)
Source Temperature: 240 °C Sample Temperature: 250 °C Direct, 70 eV
18.0 1.1 26.0 1.2 27.0 1.5 28.0 2.1 39.0 5.8 40.0 2.9 41.0 1.7 50.0 1.8 51.0 4.4 52.0 1.6 63.0 3.3 64.0 1.0 65.0 14.0 66.0 1.7 77.0 2.7 78.0 1.7 89.0 2.7 90.0 1.0 91.0 100.0 92.0 7.6 103.0 1.2 158.0 32.2 159.0 4.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H10 N2 0.038 g : 0.5 ml CDCl3 1-benzylimidazole 
Assign. Shift(ppm)
A 7.530 B 7.33 C 7.141 D *1 7.082 E *1 6.891 F 5.095
Hz ppm Int.3009.40 7.531 345 2944.82 7.369 89 2942.26 7.363 101 2940.43 7.358 65 2938.60 7.353 76 2935.91 7.347 401 2934.45 7.343 192 2933.47 7.341 136 2930.42 7.333 234 2928.83 7.329 533 2926.88 7.324 337 2925.17 7.320 202 2923.34 7.315 77 2923.10 7.315 77 2920.65 7.309 142 2920.04 7.307 144 2915.77 7.296 31 2914.31 7.293 32 2912.72 7.289 41 2859.01 7.154 319 2858.28 7.152 278 2857.30 7.150 339 2855.22 7.145 116 2851.56 7.136 260 2850.95 7.134 300 2850.22 7.132 268 2849.61 7.131 249 2846.92 7.124 35 2831.54 7.086 288 2830.57 7.083 435 2829.59 7.081 295 2755.25 6.895 285 2754.03 6.892 476 2752.81 6.889 276 2036.50 5.096 1000
in CDCl3
KBr disc
Nujol
4880 A,200 M,powder
