Product NameOctadecane
CAS593-45-3
Molecular FormulaC18H38
Molecular Weight254.49
InChIInChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKey RZJRJXONCZWCBN-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCCCC

Mass
MS-NW-1995 octadecane C18H38 (Mass of molecular ion: 254)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 4.3
29.0 12.4
39.0 2.2
41.0 20.4
42.0 5.8
43.0 61.4
44.0 2.0
54.0 1.4
55.0 13.8
56.0 11.9
57.0 100.0
58.0 4.4
67.0 1.2
68.0 1.4
69.0 7.7
70.0 10.4
71.0 66.8
72.0 3.5
82.0 1.9
83.0 6.0
84.0 7.2
85.0 44.2
86.0 2.9
96.0 1.0
97.0 5.0
98.0 5.5
99.0 14.3
100.0 1.1
111.0 2.5
112.0 4.2
113.0 9.4
125.0 1.2
126.0 3.4
127.0 7.1
140.0 2.7
141.0 5.6
154.0 1.9
155.0 4.4
168.0 1.5
169.0 3.8
182.0 1.1
183.0 3.1
197.0 2.5
211.0 1.5
254.0 4.3
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C18 H38 | 0.042 g : 0.5 ml CDCl3 |
| octadecane | |
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Assign. Shift(ppm) |
Hz ppm Int.
112.69 1.259 1000
78.88 0.881 62
in CDCl3

CCl4 solution

KBr disc

nujol mull


Octadecane(593-45-3) 13C NMR Atlas of Related Products
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