584-03-2

1,2-丁二醇(584-03-2)紅外圖譜(IR1)

產(chǎn)品名稱:1,2-丁二醇

CAS:584-03-2

分子式:C4H10O2

分子量: 90.12

InChI:InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

InChIKey: BMRWNKZVCUKKSR-UHFFFAOYSA-N

Smiles:C(O)C(O)CC

Mass

MS-NW-4362          
1,2-butanediol
C4H10O2             (Mass of molecular ion:     90)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       4.2
      18.0       1.0
      26.0       1.9
      27.0       9.1
      28.0       1.4
      29.0       7.5
      31.0      54.1
      32.0       1.0
      33.0       1.1
      39.0       5.2
      41.0      25.1
      42.0       2.3
      43.0      19.5
      44.0       2.7
      45.0       1.8
      55.0       1.5
      57.0       5.6
      58.0      10.3
      59.0     100.0
      60.0       4.1
      61.0      22.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
1,2-butanediol

    Assign.     Shift(ppm)

      A          3.97 to 3.22
      B             1.45
      C             0.965

     Hz     ppm     Int.

    344.69   3.849     34
    344.50   3.847     34
    343.63   3.837     38
    341.81   3.817     43
    341.31   3.811     43
    340.38   3.801     46
    340.00   3.797     45
    339.25   3.788     48
    338.88   3.784     49
    338.19   3.777     52
    337.69   3.771     54
    337.44   3.768     54
    330.56   3.691    166
    330.19   3.687    166
    327.88   3.662    170
    327.31   3.655    169
    326.44   3.645    161
    326.06   3.641    161
    325.25   3.632    165
    320.75   3.582    349
    320.44   3.578    348
    314.25   3.509    300
    308.69   3.447     90
    308.06   3.440     89
    307.50   3.434     88
    306.44   3.422     95
    305.75   3.414     99
    305.19   3.408    100
    303.13   3.385    101
    299.31   3.343     37
    298.31   3.331     34
    139.75   1.561     61
    137.88   1.540    128
    135.56   1.514     69
    134.44   1.502     72
    132.19   1.476    169
    130.06   1.453    198
    127.31   1.422     92
    126.69   1.415     95
    124.19   1.387    201
    120.56   1.347     47
    119.13   1.331     56
    117.25   1.310     81
     92.56   1.034    537
     88.31   0.987     52
     85.81   0.959   1000
     79.06   0.883    167
     77.94   0.871    267
     76.44   0.854    147

in CDCl3