5-METHYL-1-HEXYNE(2203-80-7) 13C NMR
Molecular FormulaC7H12
Molecular Weight96.17
InChIInChI=1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3
InChIKey HKNANEMUCJGPMS-UHFFFAOYSA-N
SmilesC#CCCC(C)C
-
![](https://www.chemicalbook.com/Spectrum/2203-80-7_MS.gif)
Mass
MS-NW-4576
5-methyl-1-hexyne
C7H12 (Mass of molecular ion: 96)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.4
18.0 4.6
26.0 2.1
27.0 25.4
28.0 1.4
29.0 34.7
37.0 1.6
38.0 3.4
39.0 32.5
40.0 5.5
41.0 74.8
42.0 7.4
43.0 26.1
44.0 1.6
50.0 4.4
51.0 7.0
52.0 4.6
53.0 28.4
54.0 14.0
55.0 23.0
56.0 51.0
57.0 47.8
58.0 2.3
63.0 1.4
65.0 4.5
66.0 3.3
67.0 12.5
68.0 12.6
69.0 1.3
77.0 5.7
78.0 1.0
79.0 19.9
80.0 2.3
81.0 100.0
82.0 6.9
95.0 4.4