4-Bromo-N,N-dimethylaniline(586-77-6) IR1
Product Name4-Bromo-N,N-dimethylaniline
CAS586-77-6
Molecular FormulaC8H10BrN
Molecular Weight200.08
InChIInChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey XYZWMVYYUIMRIZ-UHFFFAOYSA-N
SmilesC1(N(C)C)=CC=C(Br)C=C1
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MassMS-NW-4324 p-bromo-N,N-dimethylaniline C8H10BrN (Mass of molecular ion: 199)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.9 27.0 2.0 28.0 1.2 37.0 1.9 38.0 4.0 39.0 4.8 41.0 1.8 42.0 14.5 43.0 2.0 44.0 3.8 50.0 10.8 51.0 7.9 51.5 3.5 52.0 4.0 53.0 1.1 58.5 4.3 59.5 4.0 60.0 2.0 61.0 1.2 62.0 2.3 63.0 8.1 64.0 2.9 65.0 2.0 66.0 1.3 68.0 1.1 73.0 1.2 74.0 4.9 75.0 8.5 76.0 9.2 77.0 15.0 78.0 6.9 79.0 3.0 89.0 1.2 90.0 4.2 91.0 4.3 91.5 1.2 92.0 3.6 92.5 1.1 99.0 1.5 99.5 4.5 100.0 1.9 100.5 4.0 104.0 10.7 105.0 10.1 117.0 1.2 118.0 23.9 119.0 8.3 120.0 2.4 155.0 6.4 156.0 1.1 157.0 6.1 158.0 1.1 182.0 6.9 183.0 12.0 184.0 9.5 185.0 12.3 186.0 2.7 196.0 1.0 198.0 94.7 199.0 96.4 200.0 100.0 201.0 91.8 202.0 8.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 Br N 0.050 g : 0.5 ml CDCl3 p-bromo-N,N-dimethylaniline 
Assign. Shift(ppm)
A 7.28 B 6.58 C 2.907
Hz ppm Int.657.38 7.341 107 655.06 7.315 35 650.50 7.264 34 648.19 7.238 159 592.94 6.621 96 590.63 6.595 29 586.06 6.544 22 583.75 6.518 75 260.31 2.907 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
