78-92-2

仲丁醇(78-92-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:仲丁醇

CAS:78-92-2

分子式:C4H10O

分子量: 74.12

InChI:InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N

Smiles:CC(O)CC

Mass

MS2014-05098CW      
2-butanol
C4H10O              (Mass of molecular ion:     74)

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

      15.0       1.7
      19.0       1.3
      26.0       2.2
      27.0      10.4
      28.0       7.4
      29.0       5.5
      31.0      12.5
      32.0       2.0
      38.0       1.1
      39.0       7.4
      40.0       1.3
      41.0      19.6
      42.0       1.8
      43.0      12.2
      44.0       7.1
      45.0     100.0
      46.0       2.3
      50.0       1.6
      51.0       1.4
      53.0       1.8
      55.0       6.2
      56.0       7.8
      57.0       4.3
      59.0      29.6
      60.0       1.1
      73.0       2.6

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ O	11.2 mol% in CDCl₃
2-butanol

    Assign.     Shift(ppm)

      A             1.173
      B             3.709
      C             1.46
      D             0.93
      E             2.37

     Hz     ppm     Int.

    341.69   3.816     70
    335.56   3.747    143
    329.44   3.679    151
    323.25   3.610     81
    212.06   2.368    845
    141.69   1.583     40
    139.44   1.557    128
    138.25   1.544     80
    135.25   1.511     32
    133.25   1.488    125
    132.00   1.474    146
    131.44   1.468    186
    127.81   1.428     40
    125.19   1.398    237
    119.06   1.330     70
    118.19   1.320     61
    108.13   1.208   1000
    105.94   1.183     37
    101.94   1.139    956
     90.19   1.008    197
     89.38   0.998    306
     82.75   0.924    514
     80.88   0.904    145
     75.63   0.845    107
     74.75   0.835    154
     73.38   0.820     96