3-METHYL-1-PENTANOL(589-35-5) ¹³C NMR

Product Name3-METHYL-1-PENTANOL

CAS 589-35-5

Molecular FormulaC6H14O

Molecular Weight102.17

InChIInChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3

InChIKey IWTBVKIGCDZRPL-UHFFFAOYSA-N

SmilesC(O)CC(C)CC

Request For Quotation

Mass

MS-NW-3063          
3-methyl-1-pentanol
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.2
      18.0       1.4
      19.0       1.0
      26.0       1.1
      27.0      15.8
      28.0       4.4
      29.0      27.9
      31.0      23.8
      39.0      11.1
      40.0       1.8
      41.0      52.7
      42.0      16.0
      43.0      55.2
      44.0       2.4
      45.0      11.9
      46.0       3.2
      53.0       3.0
      54.0       2.0
      55.0      67.0
      56.0     100.0
      57.0      26.2
      58.0       1.1
      59.0       2.0
      67.0       1.3
      69.0      61.7
      70.0       4.9
      71.0       4.4
      73.0       1.2
      83.0       2.3
      84.0      16.6
      85.0       1.6

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             3.66
      B             1.983
      C          1.81 to 1.04
      D             0.89
      E             0.89

     Hz     ppm     Int.

    335.25   3.744     90
    334.69   3.738    110
    331.31   3.700     41
    328.94   3.673    177
    328.00   3.663    182
    321.56   3.591    135
    177.56   1.983   1000
    150.00   1.675     36
    142.63   1.593     46
    142.13   1.587     46
    140.56   1.570     57
    139.06   1.553     54
    136.13   1.520     64
    132.94   1.485     96
    131.69   1.471    104
    130.56   1.458     69
    128.94   1.440     76
    128.81   1.439     76
    127.69   1.426     57
    124.88   1.395     96
    124.19   1.387    100
    122.50   1.368     70
    120.88   1.350     43
    119.13   1.331     62
    117.44   1.312     86
    116.25   1.299     90
    111.81   1.249     63
    110.81   1.238     54
    109.94   1.228     78
    106.19   1.186     43
    103.81   1.160     45
    102.63   1.146     38
     97.19   1.086     36
     85.13   0.951    227
     82.75   0.924    376
     79.13   0.884    314
     78.56   0.878    304
     77.81   0.869    335
     76.94   0.860    410
     72.94   0.815     82
     71.44   0.798     95
     68.88   0.770     59

in CDCl3