6634-18-0

二丁基二乙醇酸酯(6634-18-0)核磁圖(¹HNMR)

產(chǎn)品名稱:二丁基二乙醇酸酯

CAS:6634-18-0

分子式:C12H22O5

分子量: 246.3

InChI:InChI=1S/C12H22O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-10H2,1-2H3

InChIKey: GYTOWSMQXHCYNU-UHFFFAOYSA-N

Smiles:O(CC(OCCCC)=O)CC(OCCCC)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3502          
dibutyl oxydiacetate
C12H22O5            (Mass of molecular ion:    246)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.0
      27.0       9.6
      28.0       5.8
      29.0      46.0
      30.0       1.4
      31.0      12.6
      39.0       6.2
      40.0       1.0
      41.0      53.0
      42.0      13.2
      43.0      10.1
      44.0       7.6
      45.0       4.9
      53.0       1.0
      55.0       9.5
      56.0      93.7
      57.0      93.1
      58.0       5.4
      59.0       2.0
      60.0      42.5
      61.0      62.4
      62.0       1.7
      63.0       2.0
      69.0       5.1
      71.0       3.8
      72.0       1.2
      73.0       1.4
      87.0       2.5
      88.0       5.5
      89.0     100.0
      90.0       4.2
      91.0       2.9
     101.0       5.4
     103.0       1.3
     116.0      53.1
     117.0       8.2
     118.0       1.0
     134.0       4.8
     135.0       5.1
     145.0      11.7
     146.0       1.0
     172.0       4.6
     173.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₂ O₅	0.05 ml : 0.5 ml CDCl₃
dibutyl oxydiacetate

    Assign.     Shift(ppm)

      A             4.240
      B             4.174
      C             1.640
      D             1.386
      E             0.938

     Hz     ppm     Int.

   1694.46   4.240   1000
   1674.80   4.191    307
   1668.21   4.175    553
   1661.38   4.158    309
    670.04   1.677     73
    663.21   1.660    201
    660.64   1.654     79
    656.25   1.643    243
    653.93   1.637    152
    648.32   1.623    209
    641.48   1.606     98
    572.63   1.433     54
    565.19   1.415    167
    559.45   1.400    105
    557.50   1.395    243
    552.00   1.382    107
    549.93   1.377    247
    544.68   1.363     53
    542.60   1.358    160
    535.28   1.340     51
    382.57   0.958    524
    379.03   0.949     79
    375.24   0.939    863
    371.95   0.931    118
    367.80   0.921    436
    364.62   0.913     65

in CDCl3