2-Chloropropionic acid(598-78-7) 1H NMR
Product Name2-Chloropropionic acid
CAS598-78-7
Molecular FormulaC3H5ClO2
Molecular Weight108.52
InChIInChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey GAWAYYRQGQZKCR-UHFFFAOYSA-N
SmilesC(O)(=O)C(Cl)C
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MassMS-NW-2954 2-chloropropionic acid C3H5ClO2 (Mass of molecular ion: 108)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.3 15.0 2.9 18.0 1.6 25.0 2.3 26.0 22.5 27.0 78.7 28.0 100.0 29.0 47.7 30.0 1.5 35.0 1.7 36.0 11.6 38.0 3.7 42.0 1.1 43.0 5.1 44.0 3.4 45.0 28.4 46.0 1.2 49.0 1.7 53.0 1.1 55.0 9.1 56.0 3.7 57.0 1.5 61.0 2.1 62.0 7.2 63.0 46.9 64.0 62.7 65.0 16.2 66.0 18.8 72.0 2.1 73.0 6.5 74.0 3.3 91.0 1.2 108.0 1.3
parameter in CDCl3
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1H NMR 300 MHz C3 H5 Cl O2 0.02 ml : 0.5 ml CDCl3 2-chloropropionic acid 
Parameter ppm Hz
D(A) 11.5 D(B) 4.453 D(C) 1.742 J(B,C) 6.99
Hz ppm Int.3444.87 11.483 339 1346.46 4.488 84 1339.52 4.465 254 1332.49 4.442 259 1325.56 4.419 89 526.12 1.754 1000 519.18 1.731 983
in CDCl3
liquid film
4880 A,200 M,liquid
