NSC10978(5411-50-7) IR1
Molecular FormulaC6H3Br2NO2
Molecular Weight280.9
InChIInChI=1S/C6H3Br2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChIKey DLLDRYLYVHKDKK-UHFFFAOYSA-N
SmilesC1(Br)=CC=C([N+]([O-])=O)C=C1Br
-
MassMS-IW-3909 1,2-dibromo-4-nitrobenzene C6H3Br2NO2 (Mass of molecular ion: 279)
Source Temperature: 180 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 3.7 30.0 20.9 36.0 1.2 37.0 8.0 38.0 5.1 49.0 5.2 50.0 8.8 51.0 1.3 60.0 1.0 61.0 4.0 62.0 4.7 63.0 9.0 72.0 1.0 73.0 12.6 74.0 68.5 75.0 84.9 76.0 6.7 77.0 1.9 78.0 1.7 79.0 1.8 80.0 2.2 81.0 1.8 82.0 2.0 117.0 1.6 118.0 1.1 119.0 1.4 128.0 4.5 129.0 1.0 130.0 4.5 142.0 1.7 143.0 1.1 144.0 1.5 153.0 20.3 154.0 36.5 155.0 22.4 156.0 34.4 157.0 3.0 170.0 2.4 172.0 1.9 221.0 19.0 222.0 1.1 223.0 36.6 224.0 2.1 225.0 18.1 226.0 1.0 233.0 29.5 234.0 2.6 235.0 56.9 236.0 4.2 237.0 27.9 238.0 1.9 249.0 11.5 251.0 22.6 252.0 1.5 253.0 11.0 265.0 1.6 279.0 51.2 280.0 3.7 281.0 100.0 282.0 7.1 283.0 49.0 284.0 3.5
parameter in CDCl3
-
1H NMR 300 MHz C6 H3 Br2 N O2 0.036 g : 0.5 ml CDCl3 1,2-dibromo-4-nitrobenzene 
Parameter ppm Hz
D(A) 8.482 D(B) 8.037 D(C) 7.826 J(A,B) 2.7 J(A,C) 0.0 J(B,C) 8.8
Hz ppm Int.2545.96 8.487 877 2543.28 8.478 912 2417.13 8.057 397 2414.45 8.048 379 2408.33 8.028 519 2405.65 8.019 502 2351.89 7.840 1000 2343.11 7.810 759
in CDCl3
KBr disc
nujol mull
