626-89-1

4-甲基-1-戊醇(626-89-1)質(zhì)譜(MS)

產(chǎn)品名稱:4-甲基-1-戊醇

CAS:626-89-1

分子式:C6H14O

分子量: 102.17

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

InChIKey: PCWGTDULNUVNBN-UHFFFAOYSA-N

Smiles:C(O)CCC(C)C

Mass

MS-NW-5625          
4-methyl-1-pentanol
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.1
      27.0      13.5
      28.0       2.6
      29.0      12.9
      31.0      17.1
      39.0       9.4
      40.0       2.1
      41.0      54.8
      42.0      47.0
      43.0      54.1
      44.0       2.0
      45.0       4.0
      53.0       1.9
      55.0      11.9
      56.0     100.0
      57.0      10.8
      59.0       2.0
      60.0       2.2
      67.0       1.3
      69.0      45.2
      70.0       3.6
      71.0       1.7
      83.0       1.8
      84.0       3.0

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             3.605
      B             1.94
      C             1.57
      D          1.84 to 1.26
      E             1.26
      F             0.899

     Hz     ppm     Int.

    330.13   3.687    113
    323.63   3.614    293
    317.06   3.541    182
    173.81   1.941    791
    149.63   1.671     46
    147.56   1.648     74
    143.56   1.603     57
    142.69   1.594     66
    140.63   1.571    149
    137.13   1.532     59
    136.00   1.519     51
    134.00   1.497    127
    132.38   1.479     50
    131.13   1.465     51
    130.63   1.459     53
    128.63   1.437     33
    127.75   1.427     63
    126.63   1.414     54
    120.75   1.349     62
    120.19   1.343     54
    118.50   1.324    100
    115.38   1.289     86
    112.81   1.260     75
    112.06   1.252     58
    109.81   1.227     74
    109.00   1.218     70
    105.94   1.183     44
    104.75   1.170     37
    103.25   1.153     77
     96.31   1.076     45
     83.00   0.927   1000
     79.00   0.883     43
     76.94   0.860    679

in CDCl3