2-Bromo-4'-methoxyacetophenone(2632-13-5) 1H NMR
Product Name2-Bromo-4'-methoxyacetophenone
CAS2632-13-5
Molecular FormulaC9H9BrO2
Molecular Weight229.07
InChIInChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
InChIKey XQJAHBHCLXUGEP-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(OC)C=C1)CBr
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MassMS-NW-9643 2-bromo-4'-methoxyacetophenone C9H9BrO2 (Mass of molecular ion: 228)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.0 18.0 5.5 27.0 1.6 29.0 1.1 31.0 8.5 38.0 1.1 39.0 1.2 43.0 1.8 45.0 5.5 46.0 1.9 50.0 2.3 51.0 2.1 63.0 3.6 64.0 4.7 65.0 1.0 76.0 1.4 77.0 16.2 78.0 2.6 79.0 1.1 91.0 1.0 92.0 7.9 107.0 11.7 108.0 1.0 121.0 3.3 135.0 100.0 136.0 8.8 150.0 2.5 184.0 1.1 228.0 2.6 230.0 2.6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 Br O2 0.042 g : 0.5 ml CDCl3 2-bromo-4'-methoxyacetophenone 
Assign. Shift(ppm)
A 7.966 B 6.957 C 4.402 D 3.880
Hz ppm Int.3190.92 7.985 51 3188.11 7.978 269 3186.04 7.973 89 3181.15 7.960 95 3179.20 7.955 277 3176.27 7.948 28 2787.35 6.975 53 2784.42 6.968 277 2782.47 6.963 90 2777.59 6.951 90 2775.51 6.945 262 2772.58 6.938 25 1759.40 4.403 726 1550.90 3.881 1000
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1H NMR 89.56 MHz C9 H9 Br O2 0.032 g : 0.5 ml CDCl3 2-bromo-4'-methoxyacetophenone Assign. Shift(ppm)
A 7.963 B 6.959 C 4.396 D 3.881
Hz ppm Int.718.19 8.020 201 716.06 7.996 65 711.31 7.943 73 709.13 7.918 248 706.25 7.886 30 630.06 7.036 31 627.31 7.005 225 625.06 6.980 62 620.38 6.927 61 618.25 6.904 187 393.81 4.398 820 347.69 3.883 1000
in CDCl3
KBr disc
nujol mull
