2-Bromo-2',5'-dimethoxyacetophenone(1204-21-3) MS
Product Name2-Bromo-2',5'-dimethoxyacetophenone
CAS1204-21-3
Molecular FormulaC10H11BrO3
Molecular Weight259.1
InChIInChI=1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3
InChIKey RGQNFYVSEWDUEI-UHFFFAOYSA-N
SmilesC(=O)(C1=CC(OC)=CC=C1OC)CBr
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MassMS-NW-6334 2-bromo-2',5'-dimethoxyacetophenone C10H11BrO3 (Mass of molecular ion: 258)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.6 18.0 2.3 38.0 1.1 39.0 3.0 42.0 1.0 43.0 1.2 50.0 2.8 51.0 5.6 52.0 1.1 53.0 4.0 54.0 1.0 62.0 2.0 63.0 5.3 64.0 3.6 65.0 4.1 66.0 3.6 74.0 1.3 75.0 1.5 76.0 2.2 77.0 11.8 78.0 3.1 79.0 5.2 91.0 3.8 92.0 6.2 93.0 1.2 94.0 1.4 102.0 1.4 105.0 1.3 106.0 1.3 107.0 9.6 108.0 2.3 109.0 1.8 121.0 6.9 122.0 7.4 123.0 1.0 135.0 2.0 136.0 1.6 148.0 1.2 149.0 1.3 150.0 6.0 151.0 1.3 164.0 2.0 165.0 100.0 166.0 10.5 167.0 1.3 180.0 1.6 181.0 1.6 183.0 1.5 193.0 1.2 258.0 13.1 259.0 1.6 260.0 13.0 261.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H11 Br O3 0.049 g : 0.5 ml CDCl3 2-bromo-2',5'-dimethoxyacetophenone 
Assign. Shift(ppm)
A 7.352 B 7.070 C 6.945 D 4.604 E *1 3.904 F *1 3.789 J(A,B)=3.0HZ. J(A,C)=0.5HZ. J(B,C)=9.0HZ.
Hz ppm Int.660.38 7.374 74 659.88 7.369 73 657.44 7.341 98 656.88 7.335 92 641.31 7.161 59 638.31 7.128 32 632.31 7.061 153 629.31 7.027 138 624.13 6.969 117 623.75 6.965 119 615.06 6.868 34 614.69 6.864 31 412.38 4.605 1000 349.69 3.905 852 346.38 3.868 24 339.44 3.791 978
in CDCl3
KBr disc
nujol mull
