1570-45-2

异烟酸乙酯(1570-45-2)核磁图(¹³CNMR)

产品名称:异烟酸乙酯

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

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

¹H NMR	89.56 MHz
C₈ H₉ N O₂	0.04 ml : 0.5 ml CDCl₃
ethyl isonicotinate

    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