3-Fluorobenzylamine(100-82-3) MS
Product Name3-Fluorobenzylamine
CAS100-82-3
Molecular FormulaC7H8FN
Molecular Weight125.14
InChIInChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey QVSVMNXRLWSNGS-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC(F)=C1
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MassMS2006-02985WA 3-fluorobenzylamine C7H8FN (Mass of molecular ion: 125)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
28.0 13.7 29.0 6.1 30.0 27.1 31.0 1.1 38.0 1.2 39.0 2.8 50.0 5.2 51.0 5.8 52.0 1.7 52.5 1.6 57.0 3.9 61.0 1.2 62.0 3.0 63.0 3.0 68.0 1.8 69.0 2.9 70.0 3.2 74.0 3.1 75.0 9.2 76.0 1.9 77.0 8.7 78.0 3.1 79.0 1.1 81.0 1.9 83.0 6.2 89.0 1.1 94.0 2.1 95.0 10.3 96.0 11.0 97.0 26.5 98.0 2.3 104.0 7.3 105.0 42.3 106.0 6.0 107.0 5.1 108.0 2.1 109.0 17.5 110.0 2.4 121.0 1.9 122.0 6.3 123.0 1.2 124.0 100.0 125.0 36.2 126.0 2.7 231.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H8 F N 0.05 ml : 0.5 ml CDCl3 3-fluorobenzylamine 
Assign. Shift(ppm)
A 7.251 B 7.046 C 7.004 D 6.900 E 3.812 F 1.72
Hz ppm Int.2908.57 7.278 132 2902.71 7.264 152 2900.76 7.259 228 2894.78 7.244 235 2892.82 7.239 185 2886.84 7.224 169 2819.70 7.056 269 2819.09 7.054 281 2818.24 7.052 232 2812.13 7.037 225 2811.52 7.035 242 2810.67 7.033 206 2805.42 7.020 153 2803.22 7.015 184 2795.53 6.995 136 2793.95 6.991 167 2793.33 6.990 174 2791.75 6.986 133 2766.97 6.924 112 2766.48 6.923 116 2766.11 6.922 113 2764.40 6.918 113 2763.92 6.916 115 2761.23 6.910 40 2758.30 6.902 192 2757.81 6.901 193 2755.74 6.896 174 2755.25 6.895 170 2750.12 6.882 95 2749.63 6.881 97 2749.15 6.879 95 2747.44 6.875 88 2746.95 6.874 87 1523.56 3.813 1000 689.21 1.725 268
in CDCl3
liquid film
