71-23-8

正丙醇(71-23-8)质谱(MS)

产品名称:正丙醇

CAS:71-23-8

分子式:C3H8O

分子量: 60.1

InChI:InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

InChIKey: BDERNNFJNOPAEC-UHFFFAOYSA-N

Smiles:C(O)CC

Mass

MS2014-05103CW      
1-propanol
C3H8O               (Mass of molecular ion:     60)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      15.0       1.2
      26.0       3.3
      27.0      12.7
      28.0       9.5
      29.0       7.1
      30.0       1.7
      31.0     100.0
      32.0       2.5
      33.0       1.2
      37.0       1.0
      38.0       1.8
      39.0       6.7
      40.0       1.6
      41.0      10.2
      42.0      15.6
      43.0       3.6
      45.0       2.5
      57.0       2.3
      59.0      26.4
      60.0      15.5

90 MHz in CDCl3

in DMSO-d6

in CDCl3

in CD3CN

in CD3OD

¹H NMR	89.56 MHz
C₃ H₈ O	0.04 ml : 0.5 ml CDCl₃
1-propanol

    Assign.     Shift(ppm)

      A             3.582
      B             2.26
      C             1.57
      D             0.94
     
     J(A,C)=6.6HZ.

     Hz     ppm     Int.

    327.56   3.658    431
    321.06   3.585    906
    314.38   3.511    501
    199.25   2.225    322
    159.31   1.779     30
    153.69   1.717     49
    152.13   1.699    143
    147.38   1.646     59
    145.81   1.629    216
    144.94   1.619    209
    144.38   1.613    127
    141.06   1.576     31
    139.19   1.555    151
    138.25   1.544    300
    137.13   1.532     82
    133.44   1.490     39
    132.56   1.481     47
    131.38   1.467    204
    130.75   1.460    103
    125.19   1.398     60
    124.13   1.386     53
     91.06   1.017    259
     90.31   1.009    508
     89.63   1.001    341
     83.44   0.932   1000
     82.69   0.924    516
     76.56   0.855    152
     75.69   0.846    289
     74.56   0.833    182