5292-53-5

亚苯甲基丙二酸二乙酯(5292-53-5)红外图谱(IR1)

产品名称:亚苯甲基丙二酸二乙酯

CAS:5292-53-5

分子式:C14H16O4

分子量: 248.27

InChI:InChI=1S/C14H16O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChIKey: VUWPIBNKJSEYIN-UHFFFAOYSA-N

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

¹³CNMR

IR1

Raman

Mass

MS-NW-5249          
diethyl benzylidenemalonate
C14H16O4            (Mass of molecular ion:    248)

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

      15.0       2.9
      26.0       2.7
      27.0      23.7
      28.0       5.2
      29.0      81.4
      30.0       2.0
      31.0       2.8
      39.0       4.9
      41.0       1.7
      42.0       1.4
      43.0       4.5
      44.0       1.8
      45.0       3.1
      50.0       7.5
      51.0      15.9
      52.0       5.6
      53.0       7.5
      62.0       2.2
      63.0       6.2
      64.0       1.4
      65.0       2.5
      69.0       9.4
      74.0       4.8
      75.0       7.8
      76.0      11.1
      77.0      33.3
      78.0       4.8
      79.0       7.3
      84.0       3.3
      87.0       1.1
      88.0       1.2
      89.0       4.2
      90.0       5.6
      91.0      15.4
      92.0       1.5
     101.0       4.8
     102.0     100.0
     103.0      42.5
     104.0       5.7
     105.0       8.7
     106.0       2.1
     107.0      31.4
     108.0       2.6
     115.0       5.9
     116.0       3.8
     117.0       1.3
     118.0       5.1
     119.0       1.2
     122.0       1.0
     128.0       1.4
     129.0      15.5
     130.0      54.5
     131.0      41.1
     132.0       6.4
     133.0       2.5
     135.0      33.1
     136.0       3.5
     145.0       1.1
     146.0       6.8
     147.0      11.3
     148.0       5.6
     157.0       7.5
     158.0      60.1
     159.0      10.7
     160.0       1.3
     173.0      11.3
     174.0      26.9
     175.0      21.9
     176.0       5.7
     184.0      10.1
     185.0       2.1
     191.0       1.4
     202.0       3.0
     203.0      70.2
     204.0      25.2
     205.0       3.4
     214.0       1.0
     219.0       5.4
     220.0       1.4
     246.0       1.2
     247.0       1.9
     248.0      38.3
     249.0       6.1
     250.0       1.0
     287.0       1.1

in CDCl3