Product Name1,3-DICHLOROBUTANE
CAS1190-22-3
Molecular FormulaC4H8Cl2
Molecular Weight127.01
InChIInChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3
InChIKey QBGVARBIQGHVKR-UHFFFAOYSA-N
SmilesC(Cl)CC(Cl)C

Mass
MS-NW-4374 1,3-dichlorobutane C4H8Cl2 (Mass of molecular ion: 126)
Source Temperature: 220 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 3.1
27.0 23.5
28.0 2.9
29.0 10.8
36.0 1.2
38.0 1.1
39.0 9.3
39.5 1.2
41.0 9.5
41.5 1.0
42.0 2.0
49.0 5.4
50.0 1.3
51.0 1.8
53.0 4.5
54.0 10.9
55.0 100.0
56.0 4.9
61.0 1.0
62.0 7.4
63.0 21.0
64.0 2.7
65.0 6.1
75.0 8.9
77.0 4.0
90.0 29.6
91.0 5.5
92.0 9.7
93.0 1.8
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C4 H8 Cl2 | 0.02 ml : 0.5 ml CDCl3 |
| 1,3-dichlorobutane | |
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Assign. Shift(ppm) |
Hz ppm Int.
384.81 4.297 93
378.06 4.222 96
338.81 3.784 100
337.13 3.765 96
331.38 3.701 324
330.75 3.694 138
325.38 3.634 247
325.06 3.630 234
199.38 2.227 119
193.31 2.159 200
192.56 2.151 167
187.25 2.091 143
186.25 2.080 201
180.31 2.014 87
179.94 2.010 81
143.13 1.599 1000
136.50 1.525 940
in CDCl3

liquid film

4880 A,200 M,liquid

1,3-DICHLOROBUTANE(1190-22-3) MS Atlas of Related Products