Product NameTridecanoic acid
CAS638-53-9
Molecular FormulaC13H26O2
Molecular Weight214.34
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey SZHOJFHSIKHZHA-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCCCC

Mass
MS-NW-2245 tridecanoic acid C13H26O2 (Mass of molecular ion: 214)
Source Temperature: 290 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 4.3
27.0 12.4
28.0 4.3
29.0 23.1
31.0 1.0
32.0 1.1
39.0 8.0
40.0 1.5
41.0 40.8
42.0 9.6
43.0 57.5
44.0 2.0
45.0 4.3
53.0 2.6
54.0 3.3
55.0 36.3
56.0 11.0
57.0 56.5
58.0 2.5
59.0 3.2
60.0 92.1
61.0 18.9
67.0 3.8
68.0 3.9
69.0 23.8
70.0 8.4
71.0 29.9
72.0 1.7
73.0 100.0
74.0 8.2
79.0 1.1
81.0 3.0
82.0 3.7
83.0 14.3
84.0 9.3
85.0 24.3
86.0 1.9
87.0 15.1
88.0 1.4
95.0 2.0
96.0 3.2
97.0 10.7
98.0 11.5
99.0 9.3
101.0 6.6
102.0 2.4
110.0 1.7
111.0 5.5
112.0 3.3
113.0 4.2
115.0 16.9
116.0 3.1
124.0 1.5
125.0 2.6
126.0 1.8
129.0 34.1
130.0 3.1
143.0 3.9
152.0 4.4
154.0 3.5
155.0 2.8
157.0 4.0
171.0 23.5
172.0 2.8
185.0 8.0
186.0 1.2
214.0 19.1
215.0 2.7
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C13 H26 O2 | 0.042 g : 0.5 ml CDCl3 |
| tridecanoic acid | |
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Assign. Shift(ppm) |
Hz ppm Int.
217.98 2.434 23
216.87 2.422 26
210.29 2.349 68
202.69 2.264 57
146.29 1.634 24
145.95 1.630 24
144.92 1.619 23
127.32 1.422 23
112.88 1.261 1000
83.83 0.937 39
82.29 0.919 34
81.86 0.915 33
81.18 0.907 32
78.87 0.881 130
72.89 0.814 28
72.63 0.811 28
in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,200 M,powder

Tridecanoic acid(638-53-9) 13C NMR Atlas of Related Products
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