4-METHYL-1-PENTYNE(7154-75-8) IR1
Molecular FormulaC6H10
Molecular Weight82.14
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3
InChIKey OXRWICUICBZVAE-UHFFFAOYSA-N
SmilesC#CCC(C)C
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![](https://www.chemicalbook.com/Spectrum/7154-75-8_MS.gif)
Mass
MS-NW-4924
4-methyl-1-pentyne
C6H10 (Mass of molecular ion: 82)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 2.3
18.0 1.9
26.0 1.7
27.0 33.9
28.0 1.9
29.0 2.4
37.0 2.3
38.0 5.2
39.0 33.4
40.0 20.1
41.0 74.6
42.0 14.6
43.0 79.0
44.0 2.7
50.0 2.1
51.0 3.2
52.0 1.3
53.0 6.2
54.0 12.4
55.0 2.3
56.0 1.6
62.0 1.0
63.0 1.8
65.0 7.4
66.0 2.5
67.0 100.0
68.0 6.0
77.0 1.1
79.0 2.1
81.0 9.7
82.0 2.9
400 MHz in CDCl3
90 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/7154-75-8_1HNMR_2.jpg)
1H NMR |
399.65 MHz |
C6 H10
|
0.04 ml : 0.5 ml CDCl3
|
4-methyl-1-pentyne
|
![ChemicalStructure](Spectrum/7154-75-8_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 2.080
B 1.959
C 1.825
D 0.990
|
Hz ppm Int.
836.18 2.093 285
833.62 2.086 261
829.71 2.077 268
827.03 2.070 353
785.77 1.967 214
783.08 1.960 337
780.40 1.953 181
742.92 1.859 45
736.33 1.843 84
729.74 1.826 107
723.14 1.810 89
716.43 1.793 49
401.49 1.005 44
398.93 0.999 1000
396.48 0.993 45
394.90 0.989 24
392.21 0.982 980
388.06 0.971 31
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![](https://www.chemicalbook.com/Spectrum/7154-75-8_1HNMR.gif)
1H NMR |
89.56 MHz |
C6 H10
|
0.04 ml : 0.5 ml CDCl3
|
4-methyl-1-pentyne
|
![ChemicalStructure](Spectrum/7154-75-8_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 2.07
B 1.95
C 1.82
D 0.991
400MHZ : HSP-41-065
|
Hz ppm Int.
190.63 2.129 113
189.00 2.111 74
187.69 2.096 143
185.25 2.069 128
184.25 2.058 144
182.19 2.035 306
179.31 2.003 34
177.00 1.977 261
174.75 1.952 242
174.13 1.945 147
171.94 1.920 122
170.31 1.902 51
169.19 1.890 49
163.81 1.830 47
162.63 1.816 52
156.94 1.753 48
94.50 1.056 64
91.63 1.024 1000
88.56 0.989 116
85.25 0.952 776