Butyl 2-chloroacetate(590-02-3) 13C NMR
Product NameButyl 2-chloroacetate
CAS590-02-3
Molecular FormulaC6H11ClO2
Molecular Weight150.6
InChIInChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
InChIKey YJRGMUWRPCPLNH-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)CCl
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MassMS-NW-2174 butyl chloroacetate C6H11ClO2 (Mass of molecular ion: 150)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.8 15.0 2.2 18.0 1.9 26.0 2.0 27.0 16.6 28.0 9.2 29.0 55.3 30.0 1.2 31.0 3.9 39.0 9.1 40.0 2.0 41.0 68.3 42.0 10.3 43.0 10.9 44.0 1.4 49.0 15.5 51.0 5.2 55.0 13.1 56.0 100.0 57.0 86.0 58.0 3.8 60.0 1.7 71.0 3.7 73.0 1.5 76.0 1.6 77.0 42.9 78.0 1.5 79.0 13.2 95.0 5.9 97.0 1.8 107.0 6.4 109.0 2.1 121.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H11 Cl O2 0.04 ml : 0.5 ml CDCl3 butyl chloroacetate 
Assign. Shift(ppm)
A 4.20 B 4.062 C 1.66 D 1.39 E 0.96
Hz ppm Int.382.44 4.271 109 375.94 4.198 268 369.50 4.126 150 363.81 4.063 1000 155.81 1.740 37 149.13 1.666 73 147.00 1.642 47 142.56 1.592 72 142.06 1.587 77 141.63 1.582 75 140.44 1.569 36 139.50 1.558 48 136.63 1.526 62 135.44 1.513 70 130.81 1.461 45 129.25 1.444 59 127.50 1.424 64 123.50 1.379 49 120.75 1.349 59 114.25 1.276 53 92.19 1.030 94 91.06 1.017 138 90.44 1.010 132 84.63 0.945 309 83.25 0.930 100 78.44 0.876 50 77.19 0.862 63 75.25 0.841 30
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
