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1,4-Cyclohexanedione, 2-octadecyl-(88702-70-9) 1H NMR
Product Name1,4-Cyclohexanedione, 2-octadecyl-
CAS88702-70-9
Molecular FormulaC24H44O2
Molecular Weight364.60496
InChIInChI=1S/C24H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-23(25)19-20-24(22)26/h22H,2-21H2,1H3
InChIKey FRQKJTUDIWUEIB-UHFFFAOYSA-N
SmilesC1(=O)CCC(=O)CC1CCCCCCCCCCCCCCCCCC
400 MHz in CDCl3
-
1H NMR 399.65 MHz C24 H44 O2 0.022 g : 0.5 ml CDCl3 2-octadecyl-1,4-cyclohexanedione 
Assign. Shift(ppm)
A 2.78 B 2.79 to 2.640 C 2.65 D 2.473 E 1.81 F 1.39 G 1.36 to 1.190 J 0.879 J(A,C)=5.6HZ. J(A,D)=16.5HZ. J(D,C)=11.2HZ.
Hz ppm Int.1119.38 2.801 33 1108.52 2.774 37 1102.91 2.760 66 1099.73 2.752 36 1089.23 2.726 64 1087.52 2.722 40 1086.43 2.719 48 1085.08 2.716 47 1081.79 2.707 83 1080.81 2.705 75 1075.20 2.691 82 1072.02 2.683 61 1062.50 2.659 50 1058.96 2.650 36 1000.24 2.503 43 989.01 2.475 31 983.76 2.462 32 526.25 1.317 41 525.88 1.316 41 525.39 1.315 41 524.90 1.314 42 501.34 1.255 1000 358.28 0.897 59 351.56 0.880 201 344.48 0.862 70
in CDCl3
