Isobutyl acrylate(106-63-8) 13C NMR
Product NameIsobutyl acrylate
CAS106-63-8
Molecular FormulaC7H12O2
Molecular Weight128.17
InChIInChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKey CFVWNXQPGQOHRJ-UHFFFAOYSA-N
SmilesC(OCC(C)C)(=O)C=C
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MassMS-NW-5514 isobutyl acrylate C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 2.2 27.0 19.3 28.0 2.3 29.0 6.1 31.0 1.5 39.0 4.3 41.0 13.2 42.0 1.8 43.0 4.6 55.0 100.0 56.0 49.2 57.0 5.0 69.0 2.1 70.0 2.5 73.0 10.0 85.0 9.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H12 O2 0.04 ml : 0.5 ml CDCl3 isobutyl acrylate 
Assign. Shift(ppm)
A 6.375 B 6.145 C 5.817 D 3.946 E 1.957 F 0.961 J(A,B)=16.9HZ, J(A,C)=2.8HZ, J(B,C)=9.7HZ
Hz ppm Int.585.69 6.540 60 582.88 6.509 79 568.81 6.352 242 566.00 6.320 261 560.56 6.260 210 550.88 6.151 299 534.00 5.963 133 525.63 5.870 207 522.81 5.838 197 515.94 5.761 110 513.19 5.731 97 356.88 3.985 539 350.25 3.911 587 184.13 2.056 43 178.38 1.992 22 177.31 1.980 53 170.75 1.907 49 164.06 1.832 30 88.94 0.994 1000 82.38 0.920 756
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
