BUTYL CROTONATE(7299-91-4) Raman
Product NameBUTYL CROTONATE
CAS7299-91-4
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3
InChIKey GWCTUKHUBWMAMI-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C=CC
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MassMS-NW-1088 butyl crotonate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 6.2 28.0 2.4 29.0 9.4 38.0 1.2 39.0 16.1 40.0 3.1 41.0 36.3 42.0 2.2 43.0 1.7 55.0 4.9 56.0 18.1 57.0 3.2 68.0 1.9 69.0 100.0 70.0 5.0 82.0 1.0 86.0 1.0 87.0 57.7 88.0 2.7 99.0 1.5 127.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O2 0.04 ml : 0.5 ml CDCl3 butyl crotonate 
Assign. Shift(ppm)
A 6.959 B 5.849 C 4.120 D 1.875 E 1.62 F 1.40 G 0.94 J(A,B)=15.6HZ J(A,D)=6.8HZ J(B,D)=1.7HZ
Hz ppm Int.635.69 7.098 215 628.81 7.022 212 627.06 7.002 85 620.19 6.925 281 613.31 6.849 291 606.50 6.772 91 533.06 5.952 88 531.38 5.934 305 529.69 5.915 328 528.00 5.896 96 515.81 5.760 226 514.19 5.742 234 376.00 4.199 243 369.56 4.127 691 363.06 4.054 351 172.19 1.923 951 170.50 1.904 998 165.38 1.847 931 163.69 1.828 1000 154.00 1.720 88 151.75 1.695 79 147.63 1.649 162 147.25 1.645 164 146.31 1.634 127 145.25 1.622 128 141.06 1.576 211 139.75 1.561 141 138.63 1.548 140 134.94 1.507 192 130.69 1.460 101 129.00 1.441 135 127.31 1.422 152 123.38 1.378 117 120.44 1.345 129 114.06 1.274 115 91.69 1.024 176 90.63 1.012 315 90.00 1.005 315 84.19 0.941 732 82.63 0.923 241 77.81 0.869 116 76.63 0.856 157 74.75 0.835 78
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
