Methyl 4-chlorobutyrate(3153-37-5) MS
Product NameMethyl 4-chlorobutyrate
CAS3153-37-5
Molecular FormulaC5H9ClO2
Molecular Weight136.58
InChIInChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChIKey ZZUYIRISBMWFMV-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCl
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MassMS-NW-3276 methyl 4-chlorobutyrate C5H9ClO2 (Mass of molecular ion: 136)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 17.3 26.0 1.8 27.0 8.3 28.0 3.2 29.0 2.9 31.0 2.9 38.0 1.6 39.0 10.7 40.0 1.8 41.0 43.7 42.0 7.7 43.0 23.7 44.0 1.9 45.0 1.2 49.0 5.7 51.0 1.9 55.0 3.7 59.0 22.4 69.0 1.8 74.0 100.0 75.0 4.0 76.0 1.2 77.0 14.5 78.0 1.1 79.0 4.6 101.0 5.4 105.0 32.9 106.0 1.7 107.0 10.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Cl O2 0.04 ml : 0.5 ml CDCl3 methyl 4-chlorobutyrate 
Assign. Shift(ppm)
A 3.688 B 3.604 C 2.50 D 2.10
Hz ppm Int.330.31 3.689 1000 329.06 3.675 179 322.81 3.605 300 316.63 3.536 159 233.19 2.604 43 231.69 2.587 44 226.44 2.529 56 224.69 2.509 128 218.69 2.442 101 218.00 2.435 94 200.88 2.243 38 199.44 2.227 37 194.00 2.167 102 191.75 2.142 26 187.56 2.095 105 185.69 2.074 47 181.25 2.024 60 179.56 2.005 27 179.06 2.000 35
in CDCl3
liquid film
