Methallyl alcohol (513-42-8) Raman
Product NameMethallyl alcohol
CAS513-42-8
Molecular FormulaC4H8O
Molecular Weight72.11
InChIInChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
InChIKey BYDRTKVGBRTTIT-UHFFFAOYSA-N
SmilesC(O)C(C)=C
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MassMS-NW-4323 2-methyl-2-propen-1-ol C4H8O (Mass of molecular ion: 72)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.7 18.0 1.0 26.0 2.7 27.0 20.7 28.0 4.4 29.0 25.5 30.0 1.0 31.0 22.6 37.0 3.0 38.0 5.4 39.0 43.2 40.0 6.0 41.0 33.2 42.0 4.6 43.0 24.1 44.0 7.4 45.0 5.5 50.0 2.1 51.0 2.1 53.0 9.5 54.0 7.6 55.0 3.9 57.0 100.0 58.0 3.5 69.0 1.1 71.0 7.7 72.0 31.2 73.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 O 0.05 ml : 0.5 ml CDCl3 2-methyl-2-propen-1-ol 
Assign. Shift(ppm)
A 4.960 B 4.832 C 3.991 D 3.35 E 1.725
Hz ppm Int.1985.47 4.969 139 1984.62 4.966 210 1983.89 4.965 283 1983.03 4.962 332 1982.06 4.960 330 1981.20 4.958 282 1980.47 4.956 211 1979.61 4.954 140 1935.42 4.843 62 1934.08 4.840 161 1932.86 4.837 279 1932.50 4.836 265 1931.40 4.833 327 1931.03 4.832 316 1929.81 4.829 262 1928.34 4.826 154 1926.88 4.822 58 1595.83 3.994 663 1595.34 3.992 686 1337.65 3.348 184 700.81 1.754 34 690.80 1.729 931 689.94 1.727 1000 689.33 1.725 977 688.35 1.723 832
in CDCl3
liquid film
4880 A,200 M,liquid
