3-Methyl-3-pentanol (77-74-7) IR1

Product Name3-Methyl-3-pentanol

CAS 77-74-7

Molecular FormulaC6H14O

Molecular Weight102.17

InChIInChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

InChIKey FRDAATYAJDYRNW-UHFFFAOYSA-N

SmilesCCC(C)(O)CC

Request For Quotation

Mass

MS-NW-1022          
3-methyl-3-pentanol
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       1.7
      17.0       1.1
      18.0       6.3
      27.0      10.1
      28.0       2.2
      29.0      10.9
      31.0       6.1
      39.0       6.2
      41.0      20.3
      42.0       2.7
      43.0      17.2
      45.0      23.9
      53.0       2.6
      55.0      44.5
      56.0       5.3
      57.0       2.8
      67.0       1.2
      69.0      16.9
      70.0       1.1
      73.0     100.0
      74.0       4.4
      84.0       6.7
      85.0       2.4
      87.0      11.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ O	0.04 ml : 0.5 ml CDCl₃
3-methyl-3-pentanol

    Assign.     Shift(ppm)

      A             1.53
      B             1.49
      C             1.131
      D             0.90

     Hz     ppm     Int.

    145.31   1.623     58
    143.69   1.605     63
    137.38   1.534    885
    130.56   1.458    129
    129.06   1.442    341
    122.81   1.372    125
    121.63   1.359    125
    101.25   1.131   1000
     87.63   0.979    241
     86.81   0.970    420
     86.00   0.961    272
     79.88   0.892    915
     79.13   0.884    401
     73.00   0.816    150
     72.06   0.805    228
     70.69   0.790    131

in CDCl3