2-Fluorobenzylamine(89-99-6) Raman
Product Name2-Fluorobenzylamine
CAS89-99-6
Molecular FormulaC7H8FN
Molecular Weight125.14
InChIInChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
InChIKey LRFWYBZWRQWZIM-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC=C1F
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MassMS-NW-5444 o-fluorobenzylamine C7H8FN (Mass of molecular ion: 125)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.2 27.0 1.8 28.0 34.4 29.0 13.9 30.0 47.9 31.0 1.5 37.0 1.4 38.0 1.8 39.0 4.6 44.0 1.0 48.0 1.1 49.0 1.0 50.0 7.3 51.0 11.2 51.5 1.6 52.0 2.6 52.5 2.1 57.0 4.7 61.0 1.6 62.0 3.6 62.5 1.0 63.0 3.4 68.0 1.8 69.0 2.6 70.0 3.5 74.0 3.0 75.0 7.7 76.0 2.6 77.0 16.8 78.0 5.7 79.0 2.5 81.0 1.8 83.0 7.6 89.0 1.2 94.0 1.6 95.0 5.5 96.0 12.8 97.0 23.8 98.0 2.2 102.0 3.9 104.0 10.7 105.0 46.0 106.0 9.2 107.0 5.3 108.0 2.4 109.0 23.3 110.0 2.5 121.0 1.4 122.0 4.6 123.0 1.4 124.0 100.0 125.0 35.3 126.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 F N 0.04 ml : 0.5 ml CDCl3 o-fluorobenzylamine 
Assign. Shift(ppm)
A 7.44 to 6.88 B 3.883 C 1.51
Hz ppm Int.664.75 7.423 39 664.19 7.417 46 662.00 7.392 76 661.44 7.386 75 659.44 7.364 38 658.81 7.357 43 656.88 7.335 142 656.38 7.329 135 654.81 7.312 153 654.44 7.308 165 653.75 7.300 154 647.88 7.235 166 647.06 7.225 158 646.13 7.215 188 644.13 7.193 224 641.56 7.164 248 639.75 7.144 362 638.69 7.132 326 637.06 7.114 199 636.38 7.106 157 635.50 7.096 227 634.75 7.088 229 632.75 7.066 172 629.31 7.027 91 627.13 7.003 178 625.69 6.987 73 624.31 6.971 157 620.44 6.928 46 619.13 6.914 51 617.94 6.900 47 617.19 6.892 48 347.75 3.883 828 135.63 1.515 1000
in CDCl3
liquid film
