Product Name1,1'-DI-N-HEPTYL-4,4'-BIPYRIDINIUM DIBROMIDE
CAS6159-05-3
Molecular FormulaC24H38BrN2+
Molecular Weight434.49
InChIInChI=1S/C24H38N2.2BrH/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;;/h13-16,19-22H,3-12,17-18H2,1-2H3;2*1H/q+2;;/p-2
InChIKey VRXAJMCFEOESJO-UHFFFAOYSA-L
SmilesC1(C=C[N+](CCCCCCC)=CC=1)C1C=C[N+](CCCCCCC)=CC=1.[Br-].[Br-]

Mass
MS-NW-6954 1,1'-diheptyl-4,4'-bipyridinium dibromide C24H38Br2N2 (Mass of molecular ion: 512)
Source Temperature: 250 °C Sample Temperature: 240 °C Direct, 75 eV
15.0 1.0
18.0 2.1
26.0 3.5
27.0 20.6
28.0 5.8
29.0 22.7
37.0 1.0
38.0 1.9
39.0 17.3
40.0 3.6
41.0 57.0
42.0 16.0
43.0 47.8
44.0 1.7
50.0 7.6
51.0 10.9
52.0 3.6
53.0 4.4
54.0 3.3
55.0 40.8
56.0 17.6
57.0 100.0
58.0 4.9
62.0 1.8
63.0 3.9
65.0 1.2
67.0 2.9
68.0 1.7
69.0 19.5
70.0 9.9
71.0 3.1
74.0 3.2
75.0 5.1
76.0 6.8
77.0 3.4
78.0 4.5
79.0 3.0
80.0 6.8
81.0 2.8
82.0 7.1
83.0 2.6
89.0 1.7
97.0 1.6
98.0 2.2
99.0 1.0
101.0 3.7
102.0 6.9
103.0 5.9
104.0 1.7
107.0 3.2
109.0 2.9
116.0 4.0
127.0 1.2
128.0 8.1
129.0 8.4
130.0 4.7
135.0 37.9
136.0 1.8
137.0 36.8
138.0 1.7
149.0 2.9
151.0 2.8
155.0 28.8
156.0 81.1
157.0 14.4
158.0 1.3
170.0 6.2
171.0 1.4
178.0 1.7
180.0 1.2
183.0 1.3
253.0 2.0
255.0 12.9
256.0 3.2
277.0 1.2
279.0 1.2
352.0 1.3
354.0 6.1
355.0 1.6
400 MHz in DMSO-d6

| 1H NMR | 399.65 MHz |
| C24 H38 Br2 N2 | 0.038 g : 0.5 ml DMSO-d6 |
| 1,1'-diheptyl-4,4'-bipyridinium dibromide | |
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Assign. Shift(ppm) |
Hz ppm Int.
3818.05 9.554 539
3811.19 9.537 571
3567.50 8.927 536
3560.79 8.910 520
1919.25 4.803 246
1911.93 4.785 413
1904.45 4.766 248
807.19 2.020 181
806.73 2.019 181
805.97 2.017 181
805.21 2.015 181
800.17 2.003 248
794.37 1.988 179
793.91 1.987 179
531.31 1.330 721
518.04 1.297 327
517.73 1.296 327
508.58 1.273 604
506.74 1.268 577
353.70 0.886 415
346.98 0.869 1000
340.12 0.852 425
D2O
in DMSO-d6


KBr disc

nujol mull


1,1'-DI-N-HEPTYL-4,4'-BIPYRIDINIUM DIBROMIDE(6159-05-3) IR2 Atlas of Related Products
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