TRANS-3,4-DIMETHYL-2-PENTENE(4914-92-5) MS
Molecular FormulaC7H14
Molecular Weight98.19
InChIInChI=1S/C7H14/c1-5-7(4)6(2)3/h5-6H,1-4H3/b7-5+
InChIKey PPBWEVVDSRKEIK-FNORWQNLSA-N
SmilesC/C=C(\C)/C(C)C
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![](https://www.chemicalbook.com/Spectrum/4914-92-5_MS.gif)
Mass
MS-NW-3498
(E)-3,4-dimethyl-2-pentene
C7H14 (Mass of molecular ion: 98)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 2.1
26.0 1.3
27.0 14.7
28.0 1.6
29.0 9.6
38.0 1.5
39.0 18.7
40.0 2.8
41.0 41.6
42.0 3.8
43.0 16.1
50.0 2.3
51.0 4.0
52.0 1.6
53.0 8.7
54.0 2.8
55.0 93.3
56.0 9.2
57.0 1.5
63.0 1.0
65.0 2.2
67.0 9.0
68.0 1.4
69.0 11.9
70.0 4.5
71.0 1.1
77.0 1.2
79.0 1.5
81.0 3.3
82.0 1.8
83.0 100.0
84.0 6.3
98.0 37.7
99.0 3.0
90 MHz in CDCl3
400 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/4914-92-5_1HNMR.gif)
1H NMR |
89.56 MHz |
C7 H14
|
0.04 ml : 0.5 ml CDCl3
|
(E)-3,4-dimethyl-2-pentene
|
![ChemicalStructure](Spectrum/4914-92-5_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 5.214
B 2.213
C 1.56
D 0.979
|
Hz ppm Int.
464.25 5.184 30
463.75 5.179 31
199.13 2.224 35
143.88 1.607 133
142.94 1.597 204
142.13 1.587 248
141.06 1.576 233
140.06 1.564 395
138.38 1.546 208
137.81 1.539 175
137.13 1.532 253
136.38 1.523 214
135.44 1.513 115
90.81 1.014 1000
84.06 0.939 825
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![](https://www.chemicalbook.com/Spectrum/4914-92-5_1HNMR_2.jpg)
1H NMR |
399.65 MHz |
C7 H14
|
0.05 ml : 0.5 ml CDCl3
|
(E)-3,4-dimethyl-2-pentene
|
![ChemicalStructure](Spectrum/4914-92-5_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 5.222
B 2.221
C 1.56
D 0.978
|
Hz ppm Int.
2090.21 5.231 35
2089.72 5.229 32
2088.62 5.227 33
2084.47 5.216 31
2083.01 5.213 35
2081.91 5.210 30
894.29 2.238 35
887.45 2.221 46
880.62 2.204 35
627.93 1.572 203
627.08 1.570 279
626.22 1.567 304
625.00 1.564 281
624.02 1.562 406
622.44 1.558 237
621.22 1.555 238
620.48 1.553 200
619.51 1.551 128
394.17 0.987 1000
387.33 0.970 893