21245-02-3

对二甲氨基苯甲酸异辛酯(21245-02-3)Raman光谱

产品名称:对二甲氨基苯甲酸异辛酯

CAS:21245-02-3

分子式:C17H27NO2

分子量: 277.4

InChI:InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3

InChIKey: WYWZRNAHINYAEF-UHFFFAOYSA-N

Smiles:C(OCC(CC)CCCC)(=O)C1=CC=C(N(C)C)C=C1

Mass

MS-NW-9249          
2-ethylhexyl p-(dimethylamino)benzoate
C17H27NO2           (Mass of molecular ion:    277)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      29.0       1.4
      41.0       2.4
      42.0       4.2
      43.0       1.5
      55.0       1.6
      57.0       1.0
      77.0       2.8
      78.0       1.0
      79.0       1.8
      91.0       1.3
     104.0       1.6
     105.0       2.3
     118.0       1.2
     119.0       1.7
     120.0       2.9
     121.0       1.1
     148.0      29.3
     149.0       3.9
     164.0      20.3
     165.0     100.0
     166.0      12.2
     167.0       1.1
     277.0      36.4
     278.0       7.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₂₇ N O₂	0.04 ml : 0.5 ml CDCl₃
2-ethylhexyl p-(dimethylamino)benzoate

    Assign.     Shift(ppm)

      A             7.906
      B             6.652
      C             4.183
      D             3.027
      E             1.62
      F          1.56 to 1.26
      G             0.94
      J             0.90
     
     J(C,E)=5.3HZ.

     Hz     ppm     Int.

    713.00   7.962    116
    710.81   7.937     33
    706.00   7.883     37
    703.81   7.859    136
    600.00   6.700     98
    597.88   6.676     30
    590.81   6.597     84
    377.31   4.213    102
    372.00   4.154    105
    271.06   3.027   1000
    136.13   1.520     41
    130.88   1.462     41
    130.56   1.458     42
    128.81   1.439     65
    120.88   1.350    139
     91.50   1.022     53
     90.63   1.012     73
     86.50   0.966     49
     86.19   0.963     49
     84.00   0.938    157
     82.25   0.919     69
     81.75   0.913     67
     80.56   0.900    109
     77.38   0.865     41
     76.56   0.855     45
     74.94   0.837     31
     74.63   0.834     32

in CDCl3