1,4-DIBROMO-2-FLUOROBENZENE(1435-52-5) 1H NMR
Product Name1,4-DIBROMO-2-FLUOROBENZENE
CAS1435-52-5
Molecular FormulaC6H3Br2F
Molecular Weight253.89
InChIInChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey WNSNPGHNIJOOPM-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(Br)C=C1F
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MassMS-IW-4910 1,4-dibromo-2-fluorobenzene C6H3Br2F (Mass of molecular ion: 252)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.4 37.0 2.5 38.0 1.5 47.0 1.7 49.0 1.4 50.0 6.9 56.0 1.1 61.0 3.3 62.0 2.6 63.0 1.8 68.0 7.4 73.0 2.4 74.0 9.3 75.0 3.4 79.0 1.0 80.0 1.1 81.0 1.0 82.0 1.1 86.0 2.0 86.5 1.0 87.0 2.0 92.0 3.7 93.0 9.9 94.0 34.7 95.0 2.2 126.0 3.1 127.0 5.9 128.0 3.4 172.0 1.1 173.0 31.3 174.0 3.1 175.0 30.5 176.0 2.0 252.0 51.1 253.0 3.5 254.0 100.0 255.0 6.7 256.0 48.7 257.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Br2 F 0.042 g : 0.5 ml CDCl3 1,4-dibromo-2-fluorobenzene 
Assign. Shift(ppm)
A 7.413 B 7.295 C 7.177 J(A,C)=8.4HZ J(B,C)=2.2HZ J(A,F-19)=7.3HZ J(B,F-19)=8.0HZ J(C,F-19)=1.1HZ
Hz ppm Int.2970.83 7.434 821 2968.75 7.429 32 2963.50 7.416 934 2962.40 7.413 1000 2960.21 7.408 38 2955.08 7.395 981 2920.78 7.309 913 2918.58 7.303 953 2912.72 7.289 905 2910.52 7.283 960 2907.47 7.276 37 2873.90 7.192 692 2872.80 7.189 703 2871.70 7.186 630 2870.61 7.183 578 2868.77 7.179 45 2865.36 7.170 598 2864.26 7.167 608 2863.16 7.165 546 2862.06 7.162 502
in CDCl3
KBr disc
nujol mull
