Product NameHexanoyl chloride
CAS142-61-0
Molecular FormulaC6H11ClO
Molecular Weight134.6
InChIInChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
InChIKey YWGHUJQYGPDNKT-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCCC

Mass
MS-NW-3272 hexanoyl chloride C6H11ClO (Mass of molecular ion: 134)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1
15.0 3.8
18.0 1.2
26.0 7.1
27.0 58.8
28.0 9.1
29.0 44.2
30.0 1.2
35.0 1.2
36.0 7.6
37.0 2.1
38.0 4.6
39.0 35.7
40.0 6.6
41.0 84.2
42.0 43.2
43.0 96.6
44.0 3.5
45.0 1.3
49.0 1.3
50.0 2.4
51.0 3.2
52.0 1.0
53.0 4.8
54.0 3.1
55.0 100.0
56.0 27.0
57.0 45.1
58.0 2.4
60.0 12.7
61.0 1.5
63.0 4.7
65.0 1.7
67.0 1.0
69.0 10.5
70.0 23.4
71.0 40.2
72.0 2.4
73.0 5.7
74.0 1.0
77.0 3.5
78.0 34.1
79.0 5.3
80.0 10.7
81.0 2.3
83.0 4.1
87.0 1.7
91.0 12.1
92.0 1.1
93.0 4.1
97.0 1.3
98.0 23.5
99.0 83.7
100.0 5.4
105.0 6.2
106.0 5.8
107.0 2.0
108.0 1.7
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C6 H11 Cl O | 0.04 ml : 0.5 ml CDCl3 |
| hexanoyl chloride | |
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Assign. Shift(ppm) |
Hz ppm Int.
265.38 2.964 374
258.19 2.883 979
250.75 2.800 625
168.38 1.881 47
165.00 1.843 46
163.13 1.822 73
161.50 1.804 150
160.63 1.794 132
158.31 1.768 111
157.13 1.755 99
154.88 1.730 194
153.75 1.717 237
152.94 1.708 200
151.38 1.691 141
151.25 1.689 141
148.00 1.653 171
146.88 1.641 192
144.00 1.608 94
143.25 1.600 78
142.50 1.592 68
141.69 1.583 67
140.50 1.569 117
139.50 1.558 63
138.19 1.543 68
137.06 1.531 54
136.25 1.522 49
135.44 1.513 55
133.63 1.493 69
131.75 1.472 69
129.25 1.444 144
128.56 1.436 135
126.13 1.409 335
125.13 1.398 501
123.56 1.380 314
122.19 1.365 538
121.00 1.352 386
119.63 1.336 416
118.00 1.318 550
116.38 1.300 366
115.31 1.288 272
114.00 1.273 330
112.13 1.253 168
111.13 1.241 277
107.88 1.205 74
106.06 1.185 55
105.44 1.178 56
104.31 1.165 48
103.50 1.156 54
102.19 1.142 41
100.81 1.126 40
100.00 1.117 48
93.44 1.044 41
91.88 1.026 45
91.06 1.017 48
88.81 0.992 189
87.81 0.981 338
87.06 0.973 317
84.81 0.947 227
84.31 0.942 225
81.44 0.910 1000
78.56 0.878 204
75.44 0.843 247
74.00 0.827 173
72.69 0.812 87
72.56 0.811 87
71.50 0.799 84
69.38 0.775 41
in CDCl3

liquid film


Hexanoyl chloride(142-61-0) Raman Atlas of Related Products
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