Acrylic acid(79-10-7) IR2
Product NameAcrylic acid
CAS79-10-7
Molecular FormulaC3H4O2
Molecular Weight72.06
InChIInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
InChIKey NIXOWILDQLNWCW-UHFFFAOYSA-N
SmilesC(O)(=O)C=C
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MassMS-NW-3742 acrylic acid C3H4O2 (Mass of molecular ion: 72)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
13.0 1.3 14.0 1.8 15.0 2.2 18.0 1.8 24.0 1.7 25.0 7.2 26.0 44.0 27.0 100.0 28.0 13.3 29.0 6.0 31.0 1.1 41.0 1.1 42.0 2.4 43.0 8.3 44.0 14.0 45.0 32.3 46.0 2.5 53.0 4.9 54.0 2.1 55.0 97.2 56.0 4.9 71.0 6.4 72.0 95.5 73.0 9.8 89.0 3.2 98.0 1.6
parameter in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C3 H4 O2 20 wt% in CDCl3 acrylic acid 
Parameter ppm Hz
D(A) 5.95 D(B) 6.53 D(C) 6.15 J(A,B) 1.8 J(A,C) 10.5 J(B,C) 17.2 D(D) 12.08 BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.9.2
Hz ppm Int.3623.97 12.080 1000 1969.18 6.564 218 1967.29 6.558 224 1952.10 6.507 295 1950.21 6.501 301 1858.58 6.195 247 1848.12 6.160 329 1841.55 6.138 168 1831.10 6.104 260 1790.71 5.969 305 1788.82 5.963 305 1780.25 5.934 220 1778.37 5.928 209
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1H NMR 89.56 MHz C3 H4 O2 0.04 ml : 0.5 ml CDCl3 acrylic acid Assign. Shift(ppm)
A 12.0 B 6.52 C 6.14 D 5.96
Hz ppm Int.1073.93 11.992 489 595.92 6.654 287 592.50 6.616 300 580.29 6.480 665 576.87 6.442 813 571.06 6.377 85 563.02 6.287 516 553.03 6.175 1000 550.89 6.152 130 539.18 6.021 829 537.30 6.000 686 535.77 5.983 846 534.23 5.966 87 529.19 5.909 356 525.77 5.871 136
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
