2,6-Dibromo-4-nitroaniline(827-94-1) MS
Product Name2,6-Dibromo-4-nitroaniline
CAS827-94-1
Molecular FormulaC6H4Br2N2O2
Molecular Weight295.92
InChIInChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKey YMZIFDLWYUSZCC-UHFFFAOYSA-N
SmilesC1(N)=C(Br)C=C([N+]([O-])=O)C=C1Br
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MassMS-IW-8373 2,6-dibromo-4-nitroaniline C6H4Br2N2O2 (Mass of molecular ion: 294)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
28.0 2.7 30.0 3.2 37.0 2.4 38.0 2.4 39.0 3.5 44.0 1.3 44.5 4.3 45.0 1.7 50.0 1.7 51.0 2.2 52.0 10.1 53.0 1.2 60.0 1.1 61.0 8.2 62.0 16.1 63.0 18.6 64.0 2.2 65.0 2.9 74.0 1.7 76.0 1.9 77.0 1.3 78.0 4.7 80.0 2.2 82.0 2.1 84.5 2.0 85.5 1.6 87.0 1.5 88.0 3.9 89.0 15.5 90.0 30.5 91.0 2.4 117.0 1.9 118.0 1.1 119.0 2.6 141.0 3.5 142.0 2.2 143.0 3.6 144.0 1.6 156.0 1.1 157.0 1.1 158.0 1.5 159.0 1.1 168.0 39.4 169.0 16.5 170.0 39.5 171.0 15.9 172.0 1.0 185.0 1.5 186.0 1.0 187.0 1.0 221.0 3.9 223.0 7.0 225.0 3.3 236.0 3.1 238.0 5.9 240.0 3.0 248.0 15.0 249.0 2.4 250.0 28.8 251.0 2.8 252.0 14.3 253.0 1.0 264.0 27.9 265.0 2.1 266.0 53.9 267.0 4.1 268.0 26.5 269.0 1.9 278.0 1.2 280.0 2.3 282.0 1.1 294.0 51.1 295.0 4.3 296.0 100.0 297.0 7.9 298.0 49.4 299.0 3.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H4 Br2 N2 O2 0.033 g : 0.5 ml DMSO-d6 2,6-dibromo-4-nitroaniline 
Assign. Shift(ppm)
A 8.276 B 6.78
Hz ppm Int.3307.74 8.277 1000 2710.57 6.783 242
in DMSO-d6
KBr disc
nujol mull
