VINYL ACRYLATE(2177-18-6) MS
Product NameVINYL ACRYLATE
CAS2177-18-6
Molecular FormulaC5H6O2
Molecular Weight98.1
InChIInChI=1S/C5H6O2/c1-3-5(6)7-4-2/h3-4H,1-2H2
InChIKey BLCTWBJQROOONQ-UHFFFAOYSA-N
SmilesC(OC=C)(=O)C=C
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MassMS-NW-4201 vinyl acrylate C5H6O2 (Mass of molecular ion: 98)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 15.0 3.4 26.0 5.8 27.0 41.9 28.0 1.1 29.0 1.6 42.0 2.0 43.0 6.3 44.0 2.4 55.0 100.0 56.0 3.2 70.0 2.4 98.0 3.2
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C5 H6 O2 0.04 ml : 0.5 ml CDCl3 vinyl acrylate 
Assign. Shift(ppm)
A 7.347 B 6.502 C 6.19 D 5.953 E 4.958 F 4.625 J(A,E)=13.9HZ. J(A,F)=6.3HZ. J(B,C)=16.2HZ. J(B,D)=2.9HZ. J(C,D)=10.0HZ. J(E,F)=1.6HZ.
Hz ppm Int.668.69 7.467 546 662.38 7.396 581 654.75 7.311 621 648.44 7.241 645 595.69 6.652 285 592.81 6.620 303 579.50 6.471 761 576.63 6.439 847 565.69 6.317 82 563.94 6.297 588 553.94 6.186 1000 547.75 6.117 39 537.75 6.005 651 536.75 5.994 799 533.88 5.962 771 526.75 5.882 327 523.88 5.850 200 451.44 5.041 593 449.81 5.023 636 437.50 4.885 504 435.88 4.867 567 418.13 4.669 571 416.50 4.651 549 411.81 4.599 555 410.19 4.581 501
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1H NMR 300 MHz C5 H6 O2 20 wt% in CDCl3 vinyl acrylate Parameter ppm Hz
D(A) 4.62 D(B) 4.96 D(C) 7.39 J(A,B) -1.64 J(A,C) 6.37 J(B,C) 14.16 D(D) 6.17 D(E) 5.84 D(F) 6.44 J(D,E) 10.8 J(D,F) 17.7 J(E,F) 1.4 BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.3.11 & 40.2.9.17
Hz ppm Int.2227.34 7.424 741 2221.00 7.403 754 2213.19 7.377 772 2206.85 7.356 782 1942.55 6.475 622 1941.05 6.470 641 1924.90 6.416 970 1923.40 6.411 977 1864.50 6.215 845 1853.82 6.179 1000 1846.88 6.156 514 1836.17 6.121 684 1757.83 5.859 893 1756.31 5.854 884 1747.12 5.824 725 1745.60 5.819 708 1495.85 4.986 801 1494.22 4.981 823 1481.67 4.939 770 1480.06 4.934 795 1389.99 4.633 817 1388.36 4.628 798 1383.63 4.612 809 1382.00 4.607 782
in CDCl3
liquid film
4880 A,200 M,liquid
