3,4-DIMETHYL-1-PENTYN-3-OL(1482-15-1) IR1

Product Name3,4-DIMETHYL-1-PENTYN-3-OL

CAS 1482-15-1

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

Request For Quotation

3,4-DIMETHYL-1-PENTYN-3-OL(1482-15-1) IR1
Mass

MS-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

3,4-DIMETHYL-1-PENTYN-3-OL(1482-15-1) IR1

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