Ethyl 3-chloropropionate(623-71-2) 13C NMR
Product NameEthyl 3-chloropropionate
CAS623-71-2
Molecular FormulaC5H9ClO2
Molecular Weight136.58
InChIInChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChIKey ZCLGVXACCAZJOX-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCl
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MassMS-NW-5479 ethyl 3-chloropropionate C5H9ClO2 (Mass of molecular ion: 136)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.4 15.0 4.0 26.0 10.2 27.0 66.5 28.0 44.0 29.0 94.3 30.0 2.3 31.0 3.7 36.0 1.8 41.0 4.5 42.0 3.2 43.0 6.6 44.0 1.6 45.0 34.8 46.0 1.1 49.0 2.4 55.0 11.2 56.0 2.6 61.0 2.2 62.0 5.0 63.0 72.9 64.0 4.6 65.0 23.6 66.0 1.1 73.0 38.0 74.0 1.5 90.0 1.3 91.0 100.0 92.0 3.8 93.0 32.0 94.0 1.2 101.0 37.0 102.0 2.2 108.0 23.2 109.0 52.7 110.0 9.3 111.0 16.7 121.0 2.8 136.0 2.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Cl O2 0.04 ml : 0.5 ml CDCl3 ethyl 3-chloropropionate 
Assign. Shift(ppm)
A 4.187 B 3.753 C 2.787 D 1.281
Hz ppm Int.386.13 4.312 108 378.88 4.231 356 371.75 4.151 374 364.69 4.073 128 343.69 3.838 189 343.19 3.832 180 336.94 3.763 381 336.50 3.758 500 330.25 3.688 268 329.81 3.683 244 255.69 2.855 233 249.13 2.782 397 242.38 2.707 157 121.69 1.359 474 114.56 1.280 1000 112.38 1.255 24 107.44 1.200 414
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1H NMR 399.65 MHz C5 H9 Cl O2 0.05 ml : 0.5 ml CDCl3 ethyl 3-chloropropionate Assign. Shift(ppm)
A 4.188 B 3.764 C 2.788 D 1.281 90MHZ:HSP-03-335
Hz ppm Int.1684.69 4.216 211 1677.61 4.198 541 1670.41 4.180 538 1663.21 4.162 214 1511.11 3.782 443 1504.39 3.765 757 1500.12 3.754 29 1497.68 3.748 454 1121.09 2.806 410 1114.38 2.789 666 1110.72 2.780 32 1107.67 2.772 374 523.32 1.310 22 519.17 1.300 655 512.08 1.282 1000 507.69 1.271 33 504.76 1.264 613 500.61 1.253 20
in CDCl3
liquid film
4880 A,200 M,liquid
