588-43-2

原甲酸三正丁基酯(588-43-2)红外图谱(IR1)

产品名称:原甲酸三正丁基酯

CAS:588-43-2

分子式:C13H28O3

分子量: 232.36

InChI:InChI=1S/C13H28O3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h13H,4-12H2,1-3H3

InChIKey: SGJBIFUEFLWXJY-UHFFFAOYSA-N

Smiles:C(OCCCC)(OCCCC)OCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9044          
tributyl orthoformate
C13H28O3            (Mass of molecular ion:    232)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.1
      26.0       1.4
      27.0      10.1
      28.0       8.5
      29.0      17.8
      31.0      14.0
      39.0       8.2
      40.0       1.9
      41.0      42.4
      42.0       5.1
      43.0       9.5
      44.0       1.2
      45.0       1.7
      47.0       2.4
      50.0       1.0
      53.0       1.6
      55.0       9.4
      56.0      36.5
      57.0     100.0
      58.0       4.4
      73.0       2.2
     103.0      29.8
     104.0       1.7
     159.0      28.8
     160.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₈ O₃	0.05 ml : 0.5 ml CDCl₃
tributyl orthoformate

    Assign.     Shift(ppm)

      A             5.136
      B             3.534
      C             1.586
      D             1.400
      E             0.926

     Hz     ppm     Int.

   2052.86   5.137    302
   1419.19   3.552    382
   1412.48   3.535    682
   1405.88   3.518    384
    647.34   1.620     74
    640.87   1.604    200
    640.14   1.602    208
    637.57   1.596     81
    633.54   1.586    254
    630.86   1.579    164
    625.61   1.566    231
    619.02   1.549    113
    578.25   1.447     60
    572.75   1.434     50
    570.80   1.429    180
    565.31   1.415    119
    563.11   1.410    247
    557.86   1.396    122
    555.54   1.391    252
    550.66   1.378     61
    548.22   1.372    162
    541.02   1.354     53
    377.32   0.945    605
    369.87   0.926   1000
    362.55   0.908    531

in CDCl3