Methyl acrylate(96-33-3) MS
Product NameMethyl acrylate
CAS96-33-3
Molecular FormulaC4H6O2
Molecular Weight86.09
InChIInChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InChIKey BAPJBEWLBFYGME-UHFFFAOYSA-N
SmilesC(OC)(=O)C=C
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MassMS-NW-4186 methyl acrylate C4H6O2 (Mass of molecular ion: 86)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 13.2 25.0 1.5 26.0 8.4 27.0 44.8 28.0 1.7 29.0 3.8 31.0 4.9 39.0 1.0 41.0 1.0 42.0 9.2 43.0 3.3 44.0 1.1 45.0 1.1 53.0 1.8 54.0 1.1 55.0 100.0 56.0 4.0 57.0 1.1 58.0 8.8 59.0 4.6 68.0 2.2 85.0 12.6 86.0 2.0
parameter in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C4 H6 O2 0.04 ml : 0.5 ml CDCl3 methyl acrylate 
Parameter ppm Hz
D(A) 6.402 D(B) 6.128 D(C) 5.824 J(A,B) 17.4 J(A,C) 1.4 J(B,C) 10.5 D(D) 3.759
Hz ppm Int.1930.97 6.437 69 1929.45 6.431 71 1913.60 6.379 106 1912.11 6.374 107 1851.68 6.172 92 1841.27 6.138 110 1834.33 6.114 57 1823.92 6.080 76 1752.86 5.843 99 1751.36 5.838 98 1742.45 5.808 79 1740.95 5.803 77 1127.69 3.759 1000
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1H NMR 89.56 MHz C4 H6 O2 0.04 ml : 0.5 ml CDCl3 methyl acrylate Assign. Shift(ppm)
A 6.402 B 6.128 C 5.824 D 3.759 J(A,B)=17.4HZ. J(A,C)=1.4HZ. J(B,C)=10.5HZ. CALCULATED BY LAOCN PROGRAM.
Hz ppm Int.586.06 6.544 33 583.31 6.514 40 569.25 6.357 126 566.50 6.326 133 560.44 6.258 99 550.69 6.149 143 533.88 5.962 68 526.75 5.882 108 523.94 5.851 102 517.00 5.773 57 514.25 5.742 48 336.69 3.760 1000
in CDCl3
liquid film
4880 A,200 M,liquid
