烯丙基丙二酸二乙酯(2049-80-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:烯丙基丙二酸二乙酯

CAS:2049-80-1

分子式:C10H16O4

分子量: 200.23

InChI:InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3

InChIKey: GDWAYKGILJJNBB-UHFFFAOYSA-N

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

Mass

MS-NW-5795          
diethyl allylmalonate
C10H16O4            (Mass of molecular ion:    200)

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

      15.0       2.8
      19.0       1.3
      26.0       4.2
      27.0      36.2
      28.0       7.5
      29.0     100.0
      30.0       2.2
      31.0       4.2
      32.0       1.0
      39.0      14.6
      40.0       1.2
      41.0      18.5
      42.0       5.5
      43.0      17.6
      44.0       2.3
      45.0       7.2
      47.0       1.7
      50.0       1.2
      51.0       2.9
      52.0       2.4
      53.0      15.9
      54.0      14.2
      55.0      20.1
      56.0       2.9
      57.0       6.4
      58.0       4.0
      67.0       7.1
      68.0       1.0
      69.0       4.7
      70.0      10.9
      71.0       4.9
      73.0       3.1
      80.0       3.7
      81.0      45.6
      82.0      23.6
      83.0       8.3
      84.0       1.7
      85.0       4.4
      86.0       3.1
      87.0       2.0
      88.0       1.3
      97.0      13.5
      98.0      64.6
      99.0      34.1
     100.0       9.6
     101.0       1.7
     108.0      29.6
     109.0      71.4
     110.0       5.2
     111.0       3.2
     114.0       1.4
     115.0       1.1
     125.0       2.1
     126.0      43.0
     127.0      58.5
     128.0      11.1
     129.0       1.4
     132.0       1.3
     133.0       1.6
     154.0       9.9
     155.0      12.3
     156.0       1.4
     160.0       3.6
     200.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₆ O₄	0.04 ml : 0.5 ml CDCl₃
diethyl allylmalonate

    Assign.     Shift(ppm)

      A             5.77
      B             5.10
      C             5.04
      D             4.192
      E             3.412
      F             2.644
      G             1.266

     Hz     ppm     Int.

    523.13   5.842     37
    515.94   5.761     45
    506.13   5.652     57
    499.44   5.577     31
    467.19   5.217     53
    466.44   5.209     55
    465.25   5.195     89
    463.88   5.180     45
    459.19   5.128     42
    458.13   5.116     78
    457.13   5.105     60
    456.19   5.094     48
    449.75   5.022     47
    448.06   5.003     84
    447.25   4.994     62
    446.44   4.985     63
    386.69   4.318    133
    379.56   4.239    450
    372.44   4.159    497
    365.38   4.080    176
    314.13   3.508     61
    306.81   3.426     87
    306.19   3.419     99
    299.00   3.339     96
    244.50   2.731     53
    243.50   2.719     83
    242.38   2.707     52
    236.81   2.645    123
    235.88   2.634    106
    229.38   2.562     60
    228.25   2.549     36
    120.38   1.345    521
    113.38   1.266   1000
    106.13   1.186    462

in CDCl3