Methyl 3,5-dibromobenzoate(51329-15-8) MS
Product NameMethyl 3,5-dibromobenzoate
CAS51329-15-8
Molecular FormulaC8H6Br2O2
Molecular Weight293.94
InChIInChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey GSMAWUZTAIOCPL-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC(Br)=CC(Br)=C1
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MassMS2014-05038CW methyl 3,5-dibromobenzoate C8H6Br2O2 (Mass of molecular ion: 292)
Source Temperature: 240 °C Sample Temperature: 30 °C Direct, 70 eV
15.0 3.2 18.0 2.9 29.0 2.1 37.0 2.5 38.0 1.9 49.0 1.9 50.0 4.7 53.0 1.1 59.0 3.1 61.0 1.2 62.0 1.5 63.0 3.4 67.0 2.4 73.0 7.6 74.0 38.6 75.0 50.5 76.0 4.1 77.0 1.9 78.0 2.3 89.0 1.0 106.5 2.0 107.5 2.0 128.0 1.1 130.0 1.1 153.0 7.7 154.0 12.7 155.0 9.4 156.0 12.1 157.0 2.1 170.0 1.5 172.0 1.4 183.0 1.0 197.0 2.6 198.0 3.6 199.0 2.9 200.0 3.5 213.0 2.5 215.0 2.5 233.0 17.7 234.0 1.6 235.0 34.8 236.0 2.8 237.0 16.9 238.0 1.3 261.0 54.6 262.0 4.5 263.0 100.0 264.0 8.6 265.0 52.5 266.0 4.2 274.0 1.0 276.0 2.1 278.0 1.2 291.0 1.4 292.0 35.2 293.0 5.8 294.0 69.4 295.0 7.4 296.0 33.5 297.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 Br2 O2 0.015 g : 0.5 ml CDCl3 methyl 3,5-dibromobenzoate 
Assign. Shift(ppm)
A 8.107 B 7.849 C 3.934
Hz ppm Int.3240.84 8.110 393 3239.01 8.105 404 3138.92 7.855 106 3137.08 7.850 194 3135.25 7.845 97 1572.51 3.935 1000
in CDCl3
KBr disk
Nujol
