2739-98-2

2-吡啶乙酸乙酯(2739-98-2)红外图谱(IR1)

产品名称:2-吡啶乙酸乙酯

CAS:2739-98-2

分子式:C9H11NO2

分子量: 165.19

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

InChIKey: IUDKTVXSXWAKJO-UHFFFAOYSA-N

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

Mass

MS-NW-5489          
ethyl (2-pyridyl)acetate
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       2.1
      27.0       8.1
      28.0       2.1
      29.0      43.3
      31.0       1.6
      38.0       2.7
      39.0      15.7
      40.0       1.8
      41.0       1.6
      50.0       2.3
      51.0       5.0
      52.0       3.1
      53.0       1.1
      62.0       1.2
      63.0       4.3
      64.0       5.0
      65.0      28.8
      66.0       7.7
      67.0       1.3
      78.0       2.2
      79.0       1.4
      91.0       3.5
      92.0      76.8
      93.0     100.0
      94.0       7.3
     106.0       2.9
     119.0       4.0
     120.0      25.7
     121.0       2.4
     136.0       2.8
     165.0      11.3
     166.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₁ N O₂	0.04 ml : 0.5 ml CDCl₃
ethyl (2-pyridyl)acetate

    Assign.     Shift(ppm)

      A             8.548
      B             7.631
      C             7.29
      D             7.19
      E             4.179
      F             3.839
      G             1.255

     Hz     ppm     Int.

    769.69   8.595     49
    768.69   8.583     60
    767.88   8.574     63
    766.88   8.563     60
    764.81   8.540     58
    763.81   8.529     66
    763.00   8.520     69
    762.00   8.509     63
    693.75   7.747     47
    691.88   7.726     47
    685.88   7.659     86
    684.19   7.640     92
    678.50   7.576    106
    676.63   7.556    103
    657.75   7.345     63
    656.44   7.330    137
    655.38   7.318    141
    649.88   7.257     55
    648.69   7.244    154
    647.56   7.231     99
    643.81   7.189     75
    642.56   7.175     62
    641.31   7.161     60
    640.00   7.147     53
    636.44   7.107     54
    635.13   7.092     49
    385.31   4.303    107
    378.13   4.223    366
    371.00   4.143    386
    363.94   4.064    128
    343.81   3.839    695
    119.25   1.332    466
    112.19   1.253   1000
    105.00   1.173    412

in CDCl3