Acetyl ketene(674-82-8) IR1
Product NameAcetyl ketene
CAS674-82-8
Molecular FormulaC4H4O2
Molecular Weight84.07
InChIInChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2
InChIKey WASQWSOJHCZDFK-UHFFFAOYSA-N
SmilesO1C(=C)CC1=O
parameter in benzene
parameter in CDCl3
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1H NMR 300 MHz C4 H4 O2 6 mol% in benzene diketene 
Parameter ppm Hz
D(A) 4.525 D(B) 3.947 D(C) 3.033 J(A,B) -3.87 J(A,C) -1.94 J(B,C) -1.36 HRUSKA,F. ET AL. CAN.J.CHEM. 43, 1942 (1965)
Hz ppm Int.1361.39 4.538 188 1359.47 4.532 365 1357.53 4.525 379 1355.60 4.519 381 1353.67 4.512 199 1187.37 3.958 210 1186.01 3.953 391 1184.68 3.949 235 1183.51 3.945 224 1182.16 3.941 375 1180.82 3.936 205 911.53 3.038 791 910.12 3.034 1000 909.68 3.032 1000 908.27 3.028 779
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1H NMR 300 MHz C4 H4 O2 0.04 ml : 0.5 ml CDCl3 diketene Parameter ppm Hz
D(A) 4.877 D(B) 4.494 D(C) 3.897 J(A,B) 1.88 J(A,C) 4.25 J(B,C) 1.44
Hz ppm Int.1468.33 4.894 233 1466.45 4.888 249 1464.08 4.880 472 1462.21 4.874 488 1459.84 4.866 256 1457.96 4.860 254 1350.56 4.502 277 1349.09 4.497 613 1347.32 4.491 605 1345.84 4.486 277 1171.93 3.906 1000 1170.50 3.902 999 1167.68 3.892 985 1166.25 3.887 959
in CDCl3
liquid film
