3-Methyl-1-butanol(123-51-3) ¹³C NMR

Product Name3-Methyl-1-butanol

CAS 123-51-3

Molecular FormulaC5H12O

Molecular Weight88.15

InChIInChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

InChIKey PHTQWCKDNZKARW-UHFFFAOYSA-N

SmilesC(O)CC(C)C

Request For Quotation

Mass

MS-NW-1323          
3-methyl-1-butanol
C5H12O              (Mass of molecular ion:     88)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.9
      18.0       2.0
      19.0       3.0
      26.0       1.7
      27.0      25.7
      28.0      10.0
      29.0      32.8
      31.0      35.5
      38.0       1.5
      39.0      18.1
      40.0       3.1
      41.0      59.9
      42.0      87.1
      43.0      69.0
      44.0       3.0
      45.0      17.5
      46.0       8.3
      47.0       1.6
      53.0       2.4
      54.0       1.3
      55.0     100.0
      56.0      11.8
      57.0      25.4
      58.0       1.2
      69.0       5.6
      70.0      69.7
      71.0       5.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ O	0.02 ml : 0.5 ml CDCl₃
3-methyl-1-butanol

    Assign.     Shift(ppm)

      A             3.673
      B             1.66
      C             1.57
      D             1.49
      E             0.922

     Hz     ppm     Int.

    335.75   3.749    164
    329.00   3.674    299
    327.31   3.655     35
    322.31   3.599    170
    154.69   1.728     37
    148.63   1.660     42
    143.19   1.599     36
    140.63   1.571    253
    137.38   1.534     43
    136.94   1.530     41
    134.38   1.501    184
    127.63   1.426    128
    121.50   1.357     37
    120.19   1.343     31
     85.25   0.952   1000
     79.19   0.885    805

in CDCl3