Isopropyl chloroacetate(105-48-6) MS
Product NameIsopropyl chloroacetate
CAS105-48-6
Molecular FormulaC5H9ClO2
Molecular Weight136.58
InChIInChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChIKey VODRWDBLLGYRJT-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)CCl
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MassMS-IW-9107 isopropyl chloroacetate C5H9ClO2 (Mass of molecular ion: 136)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.3 15.0 2.8 26.0 1.1 27.0 15.3 28.0 2.4 29.0 2.2 31.0 1.5 36.0 1.4 38.0 1.6 39.0 9.1 40.0 2.7 41.0 30.4 42.0 18.1 43.0 100.0 44.0 3.6 45.0 8.2 48.0 1.0 49.0 17.8 50.0 4.2 51.0 5.9 52.0 1.2 59.0 9.3 76.0 1.0 77.0 78.5 78.0 2.3 79.0 25.1 85.0 1.1 95.0 6.8 97.0 2.2 121.0 29.9 122.0 1.3 123.0 9.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H9 Cl O2 0.05 ml : 0.5 ml CDCl3 isopropyl chloroacetate 
Assign. Shift(ppm)
A 5.091 B 4.039 C 1.288
Hz ppm Int.2047.24 5.123 52 2041.02 5.108 127 2034.67 5.092 166 2028.44 5.076 129 2022.22 5.060 53 1614.38 4.040 842 1611.45 4.033 37 525.51 1.315 28 518.07 1.297 1000 511.84 1.281 946 504.27 1.262 22
in CDCl3
