3-Methyl-3-buten-2-one (814-78-8) Raman
Product Name3-Methyl-3-buten-2-one
CAS814-78-8
Molecular FormulaC5H8O
Molecular Weight84.12
InChIInChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
InChIKey ZGHFDIIVVIFNPS-UHFFFAOYSA-N
SmilesCC(=O)C(C)=C
90 MHz in CDCl3
-
1H NMR 89.56 MHz C5 H8 O 0.04 ml : 0.5 ml CDCl3 3-methyl-3-buten-2-one 
Assign. Shift(ppm)
A 5.97 B 5.80 C 2.336 D 1.867 J(A,B)=0.8HZ J(A,D)=-0.9HZ J(B,D)=-1.5HZ
Hz ppm Int.535.13 5.976 89 534.31 5.966 125 533.44 5.957 89 532.63 5.948 29 522.31 5.832 27 521.56 5.824 35 520.88 5.816 82 520.06 5.807 81 519.38 5.800 86 518.56 5.791 74 517.88 5.783 34 517.13 5.775 25 209.19 2.336 1000 168.44 1.881 288 167.50 1.871 324 166.94 1.865 314 166.06 1.855 267
in CDCl3
4880 A,200 M,liquid
