1-Chloro-4-fluorobenzene(352-33-0) MS
Product Name1-Chloro-4-fluorobenzene
CAS352-33-0
Molecular FormulaC6H4ClF
Molecular Weight130.55
InChIInChI=1S/C6H4ClF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey RJCGZNCCVKIBHO-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(F)C=C1
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MassMS-NW-1005 p-chlorofluorobenzene C6H4ClF (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
31.0 1.1 37.0 2.0 38.0 1.3 49.0 1.2 50.0 6.3 51.0 2.3 57.0 1.1 61.0 1.4 62.0 1.2 63.0 1.7 65.0 2.8 68.0 3.3 69.0 3.7 70.0 1.1 73.0 1.7 74.0 4.5 75.0 13.9 76.0 1.1 93.0 1.9 94.0 6.3 95.0 42.0 96.0 2.6 130.0 100.0 131.0 7.0 132.0 31.7 133.0 2.1
parameter in TMS
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1H NMR 300 MHz C6 H4 Cl F 10 mol% in TMS p-chlorofluorobenzene 
Parameter ppm Hz
D(A) 7.147 D(B) 6.832 D(X) -3.07 J(A,A') 2.70 J(A,B) 8.81 J(A,B') 0.32 J(A,X) 4.66 J(A',B) 0.32 J(A',B') 8.81 J(A',X) 4.66 J(B,B') 3.11 J(B,X) 8.08 J(B',X) 8.08 LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968) F-19 REFERENCE : FLUOROBENZENE, SOLVENT : CCL4, SUHR,H. BER.BUNSENGES. PHYS.CHEM. 68, 169 (1964)
Hz ppm Int.2154.67 7.182 76 2151.17 7.171 799 2148.92 7.163 366 2147.68 7.159 410 2146.21 7.154 331 2144.93 7.150 491 2144.49 7.148 466 2143.61 7.145 363 2142.11 7.140 1000 2140.17 7.134 287 2137.34 7.124 906 2134.48 7.115 117 2061.43 6.871 102 2057.97 6.860 968 2055.66 6.852 310 2051.20 6.837 430 2049.91 6.833 946 2048.93 6.830 917 2046.97 6.823 297 2045.42 6.818 106 2042.60 6.809 489 2040.89 6.803 547 2037.85 6.793 117
in CDCl3
liquid film
4880 A,100M,liquid
