鄰苯二甲酸二異丁酯(84-69-5)核磁圖(¹HNMR)

產(chǎn)品名稱:鄰苯二甲酸二異丁酯

CAS:84-69-5

分子式:C16H22O4

分子量: 278.34

InChI:InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3

InChIKey: MGWAVDBGNNKXQV-UHFFFAOYSA-N

Smiles:C1(C(OCC(C)C)=O)=CC=CC=C1C(OCC(C)C)=O

Mass

MS2014-05077CW      
diisobutyl phthalate
C16H22O4            (Mass of molecular ion:    278)

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

      27.0       2.1
      28.0       9.0
      29.0       3.0
      32.0       2.3
      38.0       1.0
      39.0       5.5
      40.0       1.3
      41.0      13.3
      42.0       1.4
      43.0       2.7
      50.0       3.4
      51.0       1.1
      55.0       2.7
      56.0       8.8
      57.0      10.4
      65.0       1.8
      74.0       1.3
      75.0       1.1
      76.0       8.6
      77.0       1.3
      93.0       1.8
     104.0      13.7
     105.0       2.3
     121.0       1.9
     122.0       1.0
     132.0       1.6
     148.0       1.7
     149.0     100.0
     150.0       9.2
     151.0       1.0
     167.0       3.5
     205.0       2.6
     223.0       9.1
     224.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₂₂ O₄	0.04 ml : 0.5 ml CDCl₃
diisobutyl phthalate

    Assign.     Shift(ppm)

      A             7.71
      B             7.53
      C             4.089
      D             2.03
      E             0.991

     Hz     ppm     Int.

    696.94   7.782     60
    693.69   7.746     71
    691.88   7.726     51
    690.75   7.713     82
    688.13   7.684    124
    687.69   7.679    122
    684.13   7.639     41
    681.25   7.607     41
    677.75   7.568    123
    677.31   7.563    117
    674.69   7.534     62
    673.56   7.521     51
    671.88   7.503     67
    668.50   7.465     60
    369.63   4.128    491
    363.00   4.054    533
    189.63   2.118     42
    182.81   2.042     53
    176.25   1.968     48
     91.69   1.024   1000
     88.06   0.984     34
     85.06   0.950    789

in CDCl3