2,4-DIBROMOANISOLE(21702-84-1) 13C NMR
Product Name2,4-DIBROMOANISOLE
CAS21702-84-1
Molecular FormulaC7H6Br2O
Molecular Weight265.93
InChIInChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey XGXUGXPKRBQINS-UHFFFAOYSA-N
SmilesC1(OC)=CC=C(Br)C=C1Br
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MassMS-NW-9370 2,4-dibromoanisole C7H6Br2O (Mass of molecular ion: 264)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 37.0 3.3 38.0 2.8 39.0 1.0 43.0 1.0 49.0 1.0 50.0 5.2 51.0 1.7 53.0 1.7 61.0 4.1 62.0 9.3 63.0 23.9 64.0 1.8 73.0 1.9 74.0 8.1 75.0 10.5 76.0 4.3 77.0 2.2 78.0 2.5 116.0 1.0 117.0 2.4 118.0 1.0 119.0 2.1 141.0 1.8 142.0 3.8 143.0 3.0 144.0 3.6 145.0 1.2 154.0 1.8 155.0 3.2 156.0 2.2 157.0 2.7 170.0 6.9 171.0 2.3 172.0 6.9 173.0 2.5 186.0 3.8 188.0 3.6 221.0 13.8 223.0 26.9 224.0 1.5 225.0 13.2 235.0 1.3 249.0 26.5 250.0 2.0 251.0 51.5 252.0 3.6 253.0 25.5 254.0 1.7 264.0 51.0 265.0 4.0 266.0 100.0 267.0 7.8 268.0 48.7 269.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Br2 O 0.036 g : 0.5 ml CDCl3 2,4-dibromoanisole 
Assign. Shift(ppm)
A 7.661 B 7.371 C 6.766 D 3.870
Hz ppm Int.3062.99 7.665 257 3060.67 7.659 259 2951.78 7.386 128 2949.34 7.380 120 2942.99 7.364 135 2940.67 7.359 131 2708.37 6.777 177 2699.58 6.755 165 1546.75 3.871 1000
in CDCl3
KBr disc
nujol mull
