3,4-DIMETHYL-1-PENTYN-3-OL(1482-15-1) MS
Product Name3,4-DIMETHYL-1-PENTYN-3-OL
CAS1482-15-1
Molecular FormulaC7H12O
Molecular Weight112.17
InChIInChI=1S/C7H12O/c1-5-7(4,8)6(2)3/h1,6,8H,2-4H3
InChIKey DZNLEQBXXLGELU-UHFFFAOYSA-N
SmilesC#CC(C)(O)C(C)C
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MassMS-NW-2209 3,4-dimethyl-1-pentyn-3-ol C7H12O (Mass of molecular ion: 112)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.4 18.0 1.1 26.0 1.5 27.0 8.8 29.0 1.5 38.0 1.2 39.0 8.5 40.0 1.8 41.0 16.1 42.0 3.1 43.0 58.8 44.0 1.8 50.0 1.7 51.0 3.3 52.0 2.0 53.0 3.5 55.0 6.0 58.0 1.4 67.0 1.7 68.0 4.4 69.0 100.0 70.0 12.0 71.0 1.7 77.0 3.2 79.0 3.7 83.0 1.6 97.0 14.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H12 O 0.04 ml : 0.5 ml CDCl3 3,4-dimethyl-1-pentyn-3-ol 
Assign. Shift(ppm)
A 2.424 B 2.08 C 1.82 D 1.456 E *1 1.05 F *1 1.01
Hz ppm Int.217.06 2.424 377 186.13 2.079 103 169.44 1.892 24 163.63 1.828 29 162.69 1.817 42 156.25 1.745 31 155.94 1.742 32 149.56 1.670 24 130.44 1.457 1000 128.81 1.439 34 128.19 1.432 27 96.75 1.081 275 93.56 1.045 291 90.13 1.007 223 86.94 0.971 221
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
