Methyl (E)-4-chloro-3-methoxy-2-butenoate(110104-60-4) IR1
Product NameMethyl (E)-4-chloro-3-methoxy-2-butenoate
CAS110104-60-4
Molecular FormulaC6H9ClO3
Molecular Weight164.59
InChIInChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+
InChIKey JNYMRXDQVPIONI-HWKANZROSA-N
SmilesC(OC)(=O)/C=C(/OC)\CCl
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MassMS-IW-5081 methyl (E)-4-chloro-3-methoxy-2-butenoate C6H9ClO3 (Mass of molecular ion: 164)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 8.4 26.0 1.8 27.0 9.2 28.0 2.3 29.0 4.2 31.0 3.0 37.0 1.2 38.0 3.2 39.0 15.3 40.0 8.6 41.0 6.1 42.0 3.8 43.0 3.1 45.0 3.7 47.0 2.0 49.0 4.8 51.0 2.2 53.0 3.9 55.0 19.0 56.0 1.8 57.0 1.7 59.0 24.7 61.0 1.7 67.0 14.5 68.0 25.8 69.0 15.9 70.0 1.1 71.0 1.2 73.0 4.2 75.0 3.5 77.0 3.5 79.0 1.6 83.0 26.6 84.0 1.5 85.0 2.9 89.0 2.2 91.0 1.0 96.0 11.5 97.0 5.7 98.0 3.5 99.0 7.0 101.0 3.7 102.0 5.1 103.0 4.3 104.0 1.8 105.0 5.6 106.0 1.3 107.0 1.4 114.0 1.2 115.0 3.8 123.0 2.9 129.0 1.8 132.0 89.0 133.0 100.0 134.0 34.0 135.0 38.2 136.0 2.3 137.0 2.2 147.0 3.3 164.0 32.5 165.0 4.3 166.0 10.7 167.0 1.4
parameter in CDCl3
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1H NMR 300 MHz C6 H9 Cl O3 0.05 ml : 0.5 ml CDCl3 methyl (E)-4-chloro-3-methoxy-2-butenoate 
Parameter ppm Hz
D(A) 5.160 D(B) 4.657 D(C) *1 3.724 D(D) *1 3.717
Hz ppm Int.1547.99 5.160 323 1397.10 4.657 646 1117.19 3.724 1000 1115.11 3.717 1000
in CDCl3
liquid film
