39931-77-6

3-吡啶乙酸乙酯(39931-77-6)核磁圖(¹HNMR)

產(chǎn)品名稱:3-吡啶乙酸乙酯

CAS:39931-77-6

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3

InChIKey: RPWXYCRIAGBAGY-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1CC(OCC)=O

Mass

MS-NW-5449          
ethyl (3-pyridyl)acetate
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       1.4
      26.0       2.0
      27.0       8.2
      28.0       2.5
      29.0      53.0
      30.0       1.3
      31.0       1.0
      37.0       1.2
      38.0       4.4
      39.0      24.7
      40.0       1.6
      45.0       1.0
      46.0       1.1
      50.0       1.2
      51.0       1.7
      52.0       1.4
      53.0       1.1
      62.0       1.8
      63.0       6.4
      64.0       5.4
      65.0      27.0
      66.0       3.7
      80.0       1.1
      91.0       4.1
      92.0     100.0
      93.0      36.1
      94.0       2.4
     106.0       2.1
     108.0       1.0
     119.0       1.9
     120.0       6.3
     121.0      10.8
     122.0       1.1
     137.0       1.6
     165.0      35.6
     166.0       4.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₁ N O₂	0.04 ml : 0.5 ml CDCl₃
ethyl (3-pyridyl)acetate

    Assign.     Shift(ppm)

      A          8.57 to 8.46
      B             7.637
      C             7.266
      D             4.163
      E             3.618
      F             1.256
     
     J(D,F)=7.2HZ. J(A,C)=4.8HZ. J(B,C)=7.9HZ.

     Hz     ppm     Int.

    764.19   8.533    156
    762.56   8.515    118
    762.13   8.510    117
    761.38   8.502    115
    759.38   8.480     84
    690.56   7.711     43
    688.88   7.692     63
    688.31   7.686     61
    687.69   7.679     30
    686.56   7.666     42
    682.69   7.623     63
    682.19   7.618     42
    681.00   7.604     94
    680.44   7.598     94
    679.88   7.592     46
    679.25   7.585     42
    678.75   7.579     60
    656.06   7.326     82
    651.25   7.272     72
    650.38   7.262     75
    648.19   7.238     55
    647.38   7.229     53
    643.44   7.185     48
    642.56   7.175     47
    383.88   4.287    107
    376.63   4.206    362
    369.50   4.126    382
    362.44   4.047    125
    324.00   3.618    528
    119.38   1.333    457
    112.31   1.255   1000
    105.13   1.174    404

in CDCl3