1658-42-0

2-吡啶乙酸甲酯(1658-42-0)質(zhì)譜(MS)

產(chǎn)品名稱:2-吡啶乙酸甲酯

CAS:1658-42-0

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=1S/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3

InChIKey: ORAKNQSHWMHCEY-UHFFFAOYSA-N

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

Mass

MS-NW-8870          
methyl 2-pyridineacetate
C8H9NO2             (Mass of molecular ion:    151)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      10.7
      26.0       1.4
      27.0       2.0
      28.0       2.1
      29.0       1.1
      37.0       1.1
      38.0       3.7
      39.0      21.1
      40.0       2.4
      41.0       2.6
      42.0       1.6
      50.0       3.5
      51.0       7.2
      52.0       5.0
      53.0       1.2
      59.0      18.0
      62.0       1.6
      63.0       6.5
      64.0       7.2
      65.0      48.9
      66.0       8.8
      67.0       1.2
      77.0       1.2
      78.0       3.6
      79.0       9.1
      80.0       1.9
      91.0       5.1
      92.0     100.0
      93.0      68.9
      94.0       4.8
     106.0      12.0
     107.0       2.5
     108.0       5.1
     109.0       3.8
     119.0      16.5
     120.0      19.0
     121.0       1.5
     136.0       9.6
     151.0      24.3
     152.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ N O₂	0.04 ml : 0.5 ml CDCl₃
methyl 2-pyridineacetate

    Assign.     Shift(ppm)

      A             8.549
      B             7.636
      C             7.29
      D             7.20
      E             3.856
      F             3.716
     
     J(A,B)=1.9HZ. J(A,D)=4.9HZ. J(B,C)=J(B,D)=7.6HZ. J(C,D)=1.2HZ.

     Hz     ppm     Int.

    769.94   8.597     31
    768.25   8.579     40
    765.13   8.544     37
    764.31   8.535     42
    764.06   8.532     42
    763.31   8.523     44
    686.56   7.666     57
    684.69   7.646     62
    678.94   7.581     60
    677.06   7.560     58
    656.31   7.329     90
    649.31   7.251     82
    648.44   7.241     81
    644.50   7.197     44
    643.13   7.181     37
    641.94   7.168     35
    345.38   3.857    449
    332.81   3.717   1000

in CDCl3