Methacrylic acid(79-41-4) 13C NMR
Product NameMethacrylic acid
CAS79-41-4
Molecular FormulaC4H6O2
Molecular Weight86.09
InChIInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InChIKey CERQOIWHTDAKMF-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)=C
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MassMS-NW-0658 methacrylic acid C4H6O2 (Mass of molecular ion: 86)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.4 18.0 2.6 26.0 2.6 27.0 5.8 28.0 2.8 29.0 2.5 31.0 1.1 37.0 5.2 38.0 9.1 39.0 56.7 40.0 19.3 41.0 100.0 42.0 7.6 43.0 5.9 44.0 2.4 45.0 11.2 53.0 1.9 57.0 3.9 58.0 5.7 68.0 7.6 69.0 14.9 71.0 1.7 85.0 3.8 86.0 81.2 87.0 3.8
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C4 H6 O2 0.05 ml : 0.5 ml CDCl3 methacrylic acid 
Assign. Shift(ppm)
A 12.2 B 6.262 C 5.685 D 1.956
Hz ppm Int.4895.86 12.251 60 2505.35 6.269 172 2504.44 6.267 346 2503.34 6.264 398 2502.79 6.263 396 2501.87 6.261 332 2500.77 6.258 155 2275.29 5.694 125 2273.83 5.690 328 2272.18 5.686 425 2270.72 5.682 306 2269.07 5.678 111 783.04 1.960 963 782.12 1.958 1000 781.39 1.956 997 780.47 1.953 898
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1H NMR 89.56 MHz C4 H6 O2 0.04 ml : 0.5 ml CDCl3 methacrylic acid Assign. Shift(ppm)
A 11.3 B 6.256 C 5.679 D 1.955
Hz ppm Int.1016.33 11.349 114 562.51 6.281 85 561.66 6.272 225 560.63 6.260 279 560.03 6.254 271 559.09 6.243 225 558.15 6.233 79 511.84 5.716 64 510.22 5.697 248 508.68 5.680 372 507.06 5.662 247 505.52 5.645 65 176.45 1.971 824 175.43 1.959 1000 174.91 1.953 963 173.89 1.942 799
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
