Product NameDecanoyl chloride
CAS112-13-0
Molecular FormulaC10H19ClO
Molecular Weight190.71
InChIInChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3
InChIKey IPIVAXLHTVNRBS-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCCCCCCC

Mass
MS-NW-0858 decanoyl chloride C10H19ClO (Mass of molecular ion: 190)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.1
26.0 3.7
27.0 51.5
28.0 13.4
29.0 46.9
30.0 1.1
35.0 1.5
36.0 2.1
38.0 2.1
39.0 41.0
40.0 7.7
41.0 100.0
42.0 26.1
43.0 60.8
44.0 2.2
50.0 1.5
51.0 3.0
52.0 1.4
53.0 10.2
54.0 11.7
55.0 70.6
56.0 23.3
57.0 30.8
58.0 1.5
60.0 4.2
63.0 3.6
64.0 1.0
65.0 2.8
66.0 1.5
67.0 10.1
68.0 12.0
69.0 28.3
70.0 16.6
71.0 20.0
72.0 1.5
73.0 4.4
77.0 2.1
78.0 5.5
79.0 4.1
80.0 2.5
81.0 12.0
82.0 7.6
83.0 23.2
84.0 61.3
85.0 9.1
86.0 2.2
87.0 1.0
91.0 4.9
93.0 3.4
94.0 2.7
95.0 6.1
96.0 1.3
97.0 19.9
98.0 78.1
99.0 6.4
100.0 1.0
102.0 3.0
104.0 1.2
105.0 1.4
107.0 2.6
108.0 1.6
110.0 25.5
111.0 12.9
112.0 15.7
113.0 1.6
116.0 2.2
121.0 1.3
125.0 2.7
126.0 2.5
127.0 1.0
128.0 1.6
129.0 2.2
136.0 4.1
137.0 2.4
154.0 2.2
155.0 52.5
156.0 6.0
172.0 1.1
174.0 1.1
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C10 H19 Cl O | 0.04 ml : 0.5 ml CDCl3 |
| decanoyl chloride | |
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Assign. Shift(ppm) |
Hz ppm Int.
264.94 2.959 117
264.50 2.954 109
257.75 2.878 303
250.75 2.800 194
250.31 2.795 204
160.19 1.789 40
159.69 1.784 38
158.25 1.767 32
157.94 1.764 30
157.63 1.761 31
156.50 1.748 34
152.88 1.708 63
150.25 1.678 37
149.19 1.666 36
148.69 1.661 37
147.44 1.647 40
146.25 1.633 44
145.50 1.625 43
126.63 1.414 57
126.06 1.408 59
125.75 1.405 59
124.94 1.396 60
114.19 1.276 1000
105.13 1.174 34
84.00 0.938 93
82.06 0.917 75
81.94 0.915 75
81.56 0.911 75
81.13 0.906 73
79.00 0.883 323
75.25 0.841 42
72.94 0.815 63
71.88 0.803 48
in CDCl3

CCl4 solution

KBr disc

liquid film

nujol mull


Decanoyl chloride (112-13-0) Raman Atlas of Related Products
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