乙氧甲叉氰乙酸乙酯(94-05-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:乙氧甲叉氰乙酸乙酯

CAS:94-05-3

分子式:C8H11NO3

分子量: 169.18

InChI:InChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3

InChIKey: KTMGNAIGXYODKQ-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(C#N)=COCC

Mass

MS-IW-5627          
ethyl 2-cyano-3-ethoxyacrylate
C8H11NO3            (Mass of molecular ion:    169)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.1
      18.0       2.1
      19.0       1.1
      26.0       2.9
      27.0      24.3
      28.0       7.4
      29.0      68.4
      30.0       2.9
      31.0       6.1
      38.0       1.0
      39.0       2.8
      40.0       9.5
      41.0       5.7
      42.0       4.9
      43.0       6.7
      44.0       3.5
      45.0      13.0
      46.0       1.1
      47.0       4.2
      51.0       2.1
      52.0       4.4
      53.0       3.5
      54.0       2.0
      55.0       1.1
      66.0       1.0
      67.0      30.1
      68.0      53.2
      69.0      22.3
      70.0       2.5
      71.0       1.7
      72.0       2.2
      73.0       1.2
      75.0       3.2
      80.0       1.1
      85.0      93.8
      86.0       4.9
      87.0       1.3
      94.0       1.2
      95.0      31.1
      96.0      66.1
      97.0      11.7
      98.0       4.3
      99.0       1.3
     103.0       5.6
     108.0       3.5
     112.0       7.9
     113.0     100.0
     114.0       6.9
     115.0       3.0
     123.0       3.3
     124.0      30.4
     125.0       4.3
     126.0      12.5
     127.0       1.1
     140.0       2.3
     141.0      24.9
     142.0       2.7
     154.0       1.2
     169.0      37.3
     170.0       6.0
     171.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₁ N O₃	0.034 g : 0.5 ml CDCl₃
ethyl 2-cyano-3-ethoxyacrylate

    Assign.     Shift(ppm)

      A             8.032
      B             4.366
      C             4.273
      D             1.451
      E             1.329

     Hz     ppm     Int.

   3210.08   8.033    553
   1755.98   4.394    142
   1748.78   4.376    408
   1741.70   4.359    414
   1737.18   4.347     31
   1734.50   4.341    149
   1718.38   4.300    168
   1711.30   4.282    499
   1704.10   4.264    495
   1697.02   4.247    175
    587.16   1.470    523
    584.59   1.463     57
    579.96   1.452    974
    572.88   1.434    511
    538.21   1.347    531
    531.13   1.329   1000
    523.93   1.311    520

in CDCl3