2,5-Dimethyl-3-hexyne-2,5-diol(142-30-3) MS
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
-
MassMS-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 
Parameter ppm Hz
D(A) 3.16 D(B) 1.505
Hz ppm Int.947.09 3.157 167 451.50 1.505 1000
in CDCl3
KBr disc
nujol mull
4880 A,150M,powder
