4-Fluorophenyl isocyanate(1195-45-5) IR1
Product Name4-Fluorophenyl isocyanate
CAS1195-45-5
Molecular FormulaC7H4FNO
Molecular Weight137.11
InChIInChI=1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey DSVGFKBFFICWLZ-UHFFFAOYSA-N
SmilesC1(F)=CC=C(N=C=O)C=C1
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MassMS-NW-7126 p-fluorophenyl isocyanate C7H4FNO (Mass of molecular ion: 137)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 2.2 31.0 6.5 37.0 2.8 38.0 3.4 39.0 1.8 50.0 3.1 51.0 1.8 52.0 2.4 54.5 2.6 56.0 3.9 57.0 6.7 58.0 1.8 61.0 2.5 62.0 5.1 63.0 4.9 64.0 2.2 68.0 1.0 68.5 4.3 69.0 1.6 74.0 1.3 75.0 2.0 81.0 5.4 82.0 25.1 83.0 2.7 89.0 9.8 90.0 1.1 108.0 4.2 109.0 48.8 110.0 4.0 137.0 100.0 138.0 7.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H4 F N O 0.04 ml : 0.5 ml CDCl3 p-fluorophenyl isocyanate 
Assign. Shift(ppm)
A 7.03
Hz ppm Int.635.69 7.098 31 634.94 7.090 41 634.31 7.083 45 631.38 7.050 1000 629.38 7.028 73 628.69 7.020 55 627.75 7.010 56 625.75 6.987 375 624.19 6.970 357 621.25 6.937 32 620.69 6.931 35 619.31 6.916 22 618.44 6.906 31 615.63 6.874 26 614.94 6.867 25 614.13 6.858 22
in CDCl3
liquid film
