Product NameBEHENIC ANHYDRIDE
CAS55726-23-3
Molecular FormulaC44H86O3
Molecular Weight663.15
InChIInChI=1S/C44H86O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(45)47-44(46)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChIKey IJVLPVWXJLKHID-UHFFFAOYSA-N
SmilesO(C(=O)CCCCCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCCC

Mass
MS-IW-4197 docosanoic anhydride C44H86O3 (Mass of molecular ion: 662)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
17.0 2.6
18.0 15.4
27.0 1.8
28.0 2.0
29.0 4.9
39.0 1.4
41.0 13.4
42.0 3.0
43.0 26.9
44.0 1.2
54.0 2.5
55.0 25.4
56.0 7.7
57.0 29.9
58.0 1.7
60.0 10.8
61.0 5.7
67.0 5.4
68.0 5.4
69.0 16.0
70.0 8.4
71.0 17.7
72.0 1.3
73.0 15.1
74.0 1.9
79.0 1.6
80.0 1.5
81.0 5.8
82.0 6.8
83.0 21.4
84.0 20.8
85.0 11.9
86.0 1.0
87.0 6.0
93.0 1.5
94.0 1.7
95.0 4.3
96.0 6.0
97.0 19.8
98.0 100.0
99.0 10.2
100.0 1.0
101.0 2.0
102.0 1.0
107.0 1.0
109.0 2.2
110.0 2.5
111.0 15.4
112.0 23.2
113.0 4.2
115.0 3.4
116.0 2.8
121.0 1.7
123.0 1.5
124.0 1.7
125.0 5.5
126.0 2.4
127.0 1.9
129.0 11.2
130.0 1.8
135.0 1.3
138.0 1.2
139.0 2.3
140.0 1.1
141.0 1.3
143.0 2.6
153.0 1.3
157.0 1.6
171.0 3.0
172.0 1.3
185.0 5.7
186.0 1.2
199.0 2.3
213.0 1.6
227.0 2.2
241.0 4.6
246.0 1.7
255.0 2.0
283.0 1.5
297.0 4.6
298.0 1.0
323.0 1.1
340.0 12.7
341.0 3.1
400 MHz at 30C

| 1H NMR | 399.65 MHz |
| C44 H86 O3 | 0.027 g : 0.5 ml CDCl3 at 30C |
| docosanoic anhydride | |
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Assign. Shift(ppm) |
Hz ppm Int.
981.32 2.456 40
974.00 2.438 72
966.43 2.419 44
661.87 1.657 26
654.42 1.638 21
536.38 1.343 20
535.89 1.341 20
535.52 1.340 20
526.98 1.319 33
520.39 1.303 47
520.02 1.302 46
502.56 1.258 1000
358.64 0.898 37
351.81 0.881 111
344.85 0.863 43
in CDCl3

KBr disc

nujol mull

BEHENIC ANHYDRIDE(55726-23-3) 1H NMR Atlas of Related Products
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