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1570-45-2

異煙酸乙酯(1570-45-2)紅外圖譜(IR1)

產品名稱:異煙酸乙酯

CAS:1570-45-2

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

InChIKey: MCRPKBUFXAKDKI-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4815          
ethyl isonicotinate
C8H9NO2             (Mass of molecular ion:    151)


       Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       1.6
      18.0       1.8
      26.0       2.7
      27.0       8.2
      28.0       2.6
      29.0      21.8
      38.0       1.0
      39.0       1.8
      45.0      11.6
      49.0       1.4
      50.0      12.7
      51.0      41.6
      52.0       7.9
      53.0       1.1
      76.0       1.2
      77.0       2.3
      78.0      61.6
      79.0      14.3
      80.0       1.2
     105.0       3.5
     106.0     100.0
     107.0       9.7
     108.0       1.0
     123.0      59.5
     124.0       5.4
     133.0       4.0
     136.0       1.0
     137.0       4.4
     150.0       1.6
     151.0      36.7
     152.0       3.7

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H9 N O2 0.04 ml : 0.5 ml CDCl3
    ethyl isonicotinate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.774
      B             7.848
      C             4.418
      D             1.415
  

         Hz     ppm     Int.


        789.00   8.810    396
    787.38   8.792    209
    784.63   8.761    231
    783.00   8.743    454
    705.81   7.881    560
    704.19   7.863    294
    702.63   7.846     29
    701.44   7.833    248
    699.81   7.814    497
    406.69   4.541    124
    399.50   4.461    467
    392.38   4.382    489
    385.31   4.303    146
    133.69   1.493    482
    126.69   1.415   1000
    124.44   1.390     31
    119.44   1.334    427

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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