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2-Chloro-5-fluorotoluene(33406-96-1) MS
Product Name2-Chloro-5-fluorotoluene
CAS33406-96-1
Molecular FormulaC7H6ClF
Molecular Weight144.57
InChIInChI=1S/C7H6ClF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKey NIOGDCDTKPQEAT-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(F)C=C1C
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MassMS-KW-0161 2-chloro-5-fluorotoluene C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.4 38.0 1.2 39.0 2.7 43.0 1.3 44.0 5.4 50.0 2.2 51.0 1.9 53.5 1.2 54.0 5.2 57.0 6.2 61.0 2.1 62.0 3.8 63.0 4.6 72.0 1.6 73.0 1.8 74.0 1.2 75.0 1.1 81.0 3.8 82.0 1.1 83.0 10.3 84.0 1.0 85.0 1.0 86.0 1.0 89.0 1.9 107.0 16.3 108.0 10.5 109.0 100.0 110.0 7.7 117.0 2.1 143.0 12.0 144.0 48.9 145.0 7.5 146.0 15.7 147.0 1.2
parameter neat
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1H NMR 300 MHz C7 H6 Cl F neat 2-chloro-5-fluorotoluene 
Parameter ppm Hz
D(A) 6.705 D(B) 6.640 D(C) 7.055 D(D) 2.176 J(A,B) 2.77 J(A,C) 0.99 J(A,D) -0.70 J(A,X) 9.17 J(B,C) 8.16 J(B,D) -0.55 J(B,X) 8.55 J(C,D) 0.32 J(C,X) 5.50 J(D,X) 0.30 ALBRIKTSEN,P. &.HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
Hz ppm Int.2123.85 7.079 63 2123.08 7.077 64 2118.34 7.061 74 2117.48 7.058 80 2115.79 7.053 77 2114.97 7.050 76 2110.06 7.034 73 2109.33 7.031 76 2017.53 6.725 60 2016.76 6.723 56 2015.62 6.719 68 2014.94 6.716 76 2009.06 6.697 54 2008.34 6.694 71 2007.56 6.692 61 2006.33 6.688 65 2005.60 6.685 74 2001.78 6.673 55 2001.23 6.671 55 1998.96 6.663 42 1998.55 6.662 41 1993.17 6.644 94 1990.40 6.635 82 1984.93 6.616 51 1982.11 6.607 47 652.84 2.176 1000
