Vinyl crotonate(14861-06-4) MS
Product NameVinyl crotonate
CAS14861-06-4
Molecular FormulaC6H8O2
Molecular Weight112.13
InChIInChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3
InChIKey IYNRVIKPUTZSOR-UHFFFAOYSA-N
SmilesC(OC=C)(=O)C=CC
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MassMS-NW-1347 vinyl trans-crotonate C6H8O2 (Mass of molecular ion: 112)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 4.2 18.0 1.1 26.0 1.8 27.0 4.3 28.0 2.2 37.0 1.0 38.0 2.5 39.0 23.6 40.0 3.2 41.0 53.5 42.0 2.2 43.0 1.4 68.0 1.5 69.0 100.0 70.0 4.5 112.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H8 O2 0.04 ml : 0.5 ml CDCl3 vinyl trans-crotonate 
Assign. Shift(ppm)
A 7.35 B 7.11 C 5.882 D 4.909 E 4.577 F 1.923 J(A,D)=14.0HZ J(A,E)=6.3HZ J(B,C)=15.5HZ J(B,F)=6.9HZ J(C,F)=-1.7HZ J(D,E)=-1.5HZ
Hz ppm Int.668.00 7.459 351 661.69 7.389 383 655.31 7.317 67 654.06 7.304 392 652.19 7.283 114 648.31 7.239 250 647.75 7.233 420 641.44 7.163 205 639.75 7.144 85 634.63 7.087 68 632.81 7.066 262 625.94 6.990 265 619.06 6.913 86 536.19 5.987 84 534.50 5.969 278 532.81 5.950 283 531.19 5.932 94 520.69 5.814 65 519.00 5.795 220 517.31 5.777 226 515.63 5.758 72 447.06 4.992 389 445.56 4.975 407 433.06 4.836 327 431.56 4.819 382 413.75 4.620 382 412.25 4.604 371 407.44 4.550 382 405.94 4.533 340 176.44 1.971 990 174.75 1.952 1000 171.19 1.912 37 169.56 1.894 957 167.88 1.875 985
in CDCl3
liquid film
4880 A,200 M,liquid
