Benzyl 2-chloroacetate(140-18-1) 1H NMR
Product NameBenzyl 2-chloroacetate
CAS140-18-1
Molecular FormulaC9H9ClO2
Molecular Weight184.62
InChIInChI=1S/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey SOGXBRHOWDEKQB-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)CCl
-
MassMS-IW-4045 benzyl chloroacetate C9H9ClO2 (Mass of molecular ion: 184)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.1 28.0 1.1 39.0 7.5 41.0 2.1 42.0 1.7 43.0 1.0 45.5 1.2 49.0 6.3 50.0 3.1 51.0 10.8 52.0 2.6 62.0 1.0 63.0 4.7 64.0 1.6 65.0 17.7 66.0 1.0 76.0 1.0 77.0 19.3 78.0 4.1 79.0 18.7 80.0 1.5 89.0 13.9 90.0 56.1 91.0 100.0 92.0 9.4 105.0 6.4 106.0 1.7 107.0 32.3 108.0 95.2 109.0 7.5 125.0 3.6 127.0 1.1 149.0 2.4 167.0 1.7 182.0 1.2 184.0 37.2 185.0 3.8 186.0 12.3 187.0 1.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C9 H9 Cl O2 0.05 ml : 0.5 ml CDCl3 benzyl chloroacetate 
Assign. Shift(ppm)
A 7.35 to 7.34 B 5.180 C 4.046
Hz ppm Int.2942.14 7.362 79 2939.58 7.356 230 2938.35 7.353 190 2935.67 7.346 1000 2933.47 7.341 211 2932.98 7.339 231 2932.50 7.338 245 2930.30 7.333 154 2928.59 7.328 108 2927.12 7.325 73 2925.42 7.320 49 2923.95 7.317 68 2922.61 7.313 45 2070.19 5.181 769 1620.73 4.056 36 1616.94 4.046 937
in CDCl3
liquid film
