Acetyl ketene(674-82-8) IR1
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
-
![](https://www.chemicalbook.com/Spectrum/674-82-8_1HNMR_2.jpg)
1H NMR |
300 MHz |
C4 H4 O2
|
6 mol% in benzene
|
diketene
|
![ChemicalStructure](Spectrum/674-82-8_1HNMR_2_0.jpg) |
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
-
![](https://www.chemicalbook.com/Spectrum/674-82-8_1HNMR.gif)
1H NMR |
300 MHz |
C4 H4 O2
|
0.04 ml : 0.5 ml CDCl3
|
diketene
|
![ChemicalStructure](Spectrum/674-82-8_1HNMR_2_0.jpg) |
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