ETHYL 4-CHLOROBUTYRATE(3153-36-4) MS
Product NameETHYL 4-CHLOROBUTYRATE
CAS3153-36-4
Molecular FormulaC6H11ClO2
Molecular Weight150.6
InChIInChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey OPXNFHAILOHHFO-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCl
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MassMS-NW-3086 ethyl 4-chlorobutyrate C6H11ClO2 (Mass of molecular ion: 150)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 3.5 26.0 4.1 27.0 24.5 28.0 9.8 29.0 63.5 30.0 1.4 31.0 2.3 36.0 1.1 38.0 1.5 39.0 12.8 40.0 2.8 41.0 57.8 42.0 23.6 43.0 13.3 44.0 1.3 45.0 26.4 49.0 7.1 51.0 2.2 55.0 4.9 57.0 1.0 60.0 35.2 61.0 12.8 63.0 1.0 69.0 2.8 70.0 9.3 73.0 6.8 75.0 1.3 76.0 1.6 77.0 28.8 78.0 2.2 79.0 9.1 85.0 1.2 86.0 1.3 87.0 19.1 88.0 96.6 89.0 4.5 101.0 8.3 104.0 1.4 105.0 100.0 106.0 5.1 107.0 32.6 108.0 1.5 115.0 9.1 123.0 9.8 125.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H11 Cl O2 0.05 ml : 0.5 ml CDCl3 ethyl 4-chlorobutyrate 
Assign. Shift(ppm)
A 4.142 B 3.599 C 2.48 D 2.10 E 1.266
Hz ppm Int.382.00 4.266 112 374.81 4.186 366 367.69 4.106 385 360.63 4.027 132 329.00 3.674 249 322.75 3.604 516 316.50 3.534 321 231.56 2.586 86 229.94 2.568 87 224.88 2.511 103 223.00 2.490 247 217.13 2.425 207 216.06 2.413 193 200.50 2.239 65 199.13 2.224 63 194.00 2.167 147 193.50 2.161 148 191.38 2.137 47 187.38 2.093 187 185.25 2.069 85 180.94 2.021 102 178.75 1.996 61 120.25 1.343 488 113.19 1.264 1000 106.00 1.184 428
in CDCl3
liquid film
