Methacryloyl chloride (920-46-7) MS
Product NameMethacryloyl chloride
CAS920-46-7
Molecular FormulaC4H5ClO
Molecular Weight104.53
InChIInChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3
InChIKey VHRYZQNGTZXDNX-UHFFFAOYSA-N
SmilesC(Cl)(=O)C(C)=C
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MassMS-IW-3680 methacryloyl chloride C4H5ClO (Mass of molecular ion: 104)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.3 25.0 1.4 26.0 3.9 27.0 2.7 28.0 3.2 35.0 1.3 36.0 2.9 37.0 7.9 38.0 11.6 39.0 59.0 40.0 9.1 41.0 75.5 42.0 3.4 43.0 4.2 49.0 1.7 50.0 1.3 51.0 1.2 53.0 2.9 55.0 1.0 63.0 3.7 65.0 1.1 69.0 100.0 70.0 6.0 75.0 1.2 76.0 8.6 77.0 2.8 78.0 3.0 79.0 1.4 81.0 3.1 89.0 1.5 105.0 1.9 109.0 2.4 145.0 8.0 147.0 2.6 208.0 2.5 210.0 1.6
400 MHz in CDCl3
parameter in CCl4
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1H NMR 399.65 MHz C4 H5 Cl O 0.05 ml : 0.5 ml CDCl3 methacryloyl chloride 
Assign. Shift(ppm)
A 6.509 B 6.058 C 2.019
Hz ppm Int.2602.29 6.512 469 2601.32 6.509 437 2423.58 6.065 178 2422.12 6.061 427 2420.65 6.057 415 2419.07 6.053 176 808.35 2.023 1000 807.50 2.021 926 806.76 2.019 835 805.91 2.017 781
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1H NMR 300 MHz C4 H5 Cl O 5 % in CCl4 methacryloyl chloride Parameter ppm Hz
D(A) 6.02 D(B) 6.48 D(C) 2.03 J(A,B) 0.0 J(A,C) -1.5 J(B,C) -0.90 JACKMAN,L.M. & WILEY,R.H. J.CHEM.SOC. 1960, 2881
Hz ppm Int.1944.43 6.481 404 1943.60 6.479 404 1808.27 6.028 136 1806.77 6.023 357 1805.27 6.018 358 1803.78 6.013 136 610.20 2.034 818 609.24 2.031 1000 608.78 2.029 999 607.83 2.026 815
in CDCl3
liquid film
