Product Name1-Octadecanol
CAS112-92-5
Molecular FormulaC18H38O
Molecular Weight270.49
InChIInChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKey GLDOVTGHNKAZLK-UHFFFAOYSA-N
SmilesC(O)CCCCCCCCCCCCCCCCC

Mass
MS-NW-6839 1-octadecanol C18H38O (Mass of molecular ion: 270)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.5
27.0 11.5
28.0 3.2
29.0 33.6
31.0 13.0
39.0 7.5
40.0 1.8
41.0 73.2
42.0 19.1
43.0 100.0
44.0 3.7
45.0 2.1
53.0 4.0
54.0 10.3
55.0 94.8
56.0 51.3
57.0 92.8
58.0 4.0
66.0 1.5
67.0 14.4
68.0 40.4
69.0 82.4
70.0 50.3
71.0 43.6
72.0 2.6
73.0 2.0
81.0 8.2
82.0 51.5
83.0 97.4
84.0 36.1
85.0 25.2
86.0 1.7
95.0 4.4
96.0 18.7
97.0 76.1
98.0 23.6
99.0 6.9
109.0 1.7
110.0 8.3
111.0 40.4
112.0 16.7
113.0 4.6
123.0 1.0
124.0 5.3
125.0 23.3
126.0 11.1
127.0 2.7
138.0 3.9
139.0 10.8
140.0 8.7
141.0 1.8
152.0 2.5
153.0 6.3
154.0 5.8
155.0 1.2
166.0 1.6
167.0 4.0
168.0 5.1
169.0 1.4
180.0 1.1
181.0 2.6
182.0 3.4
195.0 1.5
196.0 3.3
210.0 1.0
224.0 7.9
225.0 1.4
252.0 10.4
253.0 2.1
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C18 H38 O | 0.048 g : 0.5 ml CDCl3 |
| 1-octadecanol | |
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Assign. Shift(ppm) |
Hz ppm Int.
325.00 3.629 59
318.63 3.558 27
138.38 1.546 157
124.19 1.387 21
112.75 1.259 1000
78.81 0.880 53
in CDCl3

CCl4 solution

KBr disc

Nujol


1-Octadecanol(112-92-5) IR1 Atlas of Related Products
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