Methyl 4-(bromomethyl)benzoate(2417-72-3)IR
Product NameMethyl 4-(bromomethyl)benzoate
CAS2417-72-3
Molecular FormulaC9H9BrO2
Molecular Weight229.07
InChIInChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
InChIKey NLWBJPPMPLPZIE-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC=C(CBr)C=C1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C9 H9 Br O2 0.042 g : 0.5 ml CDCl3 methyl p-(bromomethyl)benzoate 
Assign. Shift(ppm)
A 8.011 B 7.457 C 4.495 D 3.915
Hz ppm Int.3207.76 8.027 35 3205.93 8.022 197 3204.10 8.018 68 3199.46 8.006 73 3197.51 8.001 211 3195.80 7.997 38 2985.96 7.472 36 2984.13 7.467 192 2982.30 7.463 62 2977.54 7.451 63 2975.71 7.446 174 2974.00 7.442 32 1796.51 4.496 456 1564.94 3.916 1000
in CDCl3
