Product Name2,5-Dimethyl-3-hexyne-2,5-diol
CAS142-30-3
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3
InChIKey IHJUECRFYCQBMW-UHFFFAOYSA-N
SmilesCC(C)(O)C#CC(C)(O)C

Mass
MS-NW-2272 2,5-dimethyl-3-hexyne-2,5-diol C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.4
15.0 11.5
17.0 1.4
18.0 6.8
25.0 1.6
26.0 8.0
27.0 6.1
28.0 1.3
29.0 2.4
31.0 2.3
37.0 1.5
38.0 2.5
39.0 13.7
40.0 5.0
41.0 11.5
42.0 3.1
43.0 100.0
44.0 2.6
45.0 1.0
50.0 2.7
51.0 5.5
52.0 1.3
53.0 5.3
55.0 3.9
56.0 1.5
57.0 1.0
58.0 13.6
59.0 6.4
62.0 1.3
63.0 2.5
65.0 8.0
66.0 8.8
67.0 5.3
69.0 21.6
70.0 1.2
77.0 2.1
78.0 1.5
79.0 4.9
81.0 28.3
82.0 2.3
83.0 3.6
91.0 4.8
105.0 1.3
106.0 4.0
107.0 1.0
109.0 60.0
110.0 5.3
123.0 1.1
124.0 1.1
127.0 10.5
parameter in CDCl3

| 1H NMR | 300 MHz |
| C8 H14 O2 | 0.045 g : 0.5 ml CDCl3 |
| 2,5-dimethyl-3-hexyne-2,5-diol | |
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Parameter ppm Hz |
Hz ppm Int.
947.09 3.157 167
451.50 1.505 1000
in CDCl3

KBr disc

nujol mull

4880 A,150M,powder

2,5-Dimethyl-3-hexyne-2,5-diol(142-30-3) Raman Atlas of Related Products
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