Methyl 3,3-dimethylpent-4-enoate(63721-05-1) IR1
Product NameMethyl 3,3-dimethylpent-4-enoate
CAS63721-05-1
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-5-8(2,3)6-7(9)10-4/h5H,1,6H2,2-4H3
InChIKey MKLKDUHMZCIBSJ-UHFFFAOYSA-N
SmilesC(OC)(=O)CC(C)(C)C=C
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MassMS-IW-4050 methyl 3,3-dimethyl-4-pentenoate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 10.1 27.0 9.6 28.0 2.5 29.0 6.9 31.0 2.2 39.0 14.2 40.0 3.7 41.0 72.9 42.0 6.0 43.0 20.1 44.0 1.1 45.0 2.0 51.0 2.1 52.0 1.0 53.0 9.2 54.0 2.3 55.0 39.7 56.0 4.2 57.0 1.0 59.0 21.3 65.0 2.6 66.0 1.0 67.0 31.3 68.0 12.6 69.0 100.0 70.0 7.3 71.0 1.6 73.0 7.1 74.0 29.7 75.0 1.5 79.0 1.9 80.0 1.0 81.0 3.6 82.0 75.5 83.0 39.6 84.0 2.5 85.0 32.5 86.0 2.2 87.0 3.5 95.0 13.8 96.0 1.0 99.0 1.8 101.0 2.2 109.0 1.9 110.0 33.1 111.0 28.1 112.0 2.2 114.0 1.0 127.0 10.5 142.0 5.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O2 0.05 ml : 0.5 ml CDCl3 methyl 3,3-dimethyl-4-pentenoate 
Assign. Shift(ppm)
A 5.894 B 4.973 C 4.940 D 3.635 E 2.306 F 1.133 J(A,B)=17.4HZ J(A,C)=10.6HZ
Hz ppm Int.2370.12 5.931 122 2359.50 5.904 128 2352.66 5.887 134 2342.04 5.861 139 1997.07 4.998 130 1995.85 4.994 146 1980.47 4.956 185 1979.49 4.954 234 1978.52 4.951 155 1969.73 4.929 159 1968.63 4.926 142 1453.00 3.636 812 921.88 2.307 549 452.76 1.133 1000
in CDCl3
liquid film
