787-07-5

丁二酰丁二酸二乙酯(787-07-5)Raman光谱

产品名称:丁二酰丁二酸二乙酯

CAS:787-07-5

分子式:C12H16O6

分子量: 256.25

Mass

MS-NW-8958          
diethyl 2,5-dioxo-1,4-cyclohexanedicarobxylate
C12H16O6            (Mass of molecular ion:    256)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.4
      27.0      11.1
      28.0       2.5
      29.0      20.3
      31.0       2.7
      39.0       3.1
      40.0       3.1
      41.0       4.3
      42.0       1.3
      43.0       3.5
      45.0       4.4
      51.0       1.7
      52.0       4.2
      53.0       8.7
      54.0       5.3
      55.0      23.6
      56.0       2.2
      65.0       1.9
      68.0       5.0
      69.0       7.2
      70.0       1.6
      71.0       2.8
      72.0       4.1
      73.0      14.1
      79.0       2.3
      80.0       4.4
      81.0      11.1
      82.0       5.0
      83.0       5.7
      85.0       1.4
      87.0       2.6
      93.0       1.8
      96.0      21.7
      97.0       4.3
      98.0       5.0
      99.0      17.0
     100.0       4.4
     101.0      15.3
     107.0       4.0
     108.0      12.4
     109.0      17.4
     110.0       8.4
     111.0      12.0
     112.0       1.5
     113.0       1.7
     114.0      30.2
     115.0       3.3
     121.0       1.2
     125.0       3.1
     126.0       8.4
     127.0       9.2
     128.0       3.0
     129.0       3.9
     134.0       1.3
     135.0       8.8
     136.0      45.5
     137.0      80.6
     138.0       9.5
     139.0       2.5
     142.0      95.2
     143.0       7.5
     153.0       8.9
     154.0      10.3
     155.0      16.5
     156.0       1.7
     162.0       4.3
     163.0       6.6
     164.0      29.0
     165.0      33.3
     166.0       4.1
     180.0       1.7
     181.0      32.5
     182.0      25.0
     183.0      19.7
     184.0       3.0
     192.0      27.9
     193.0       4.4
     199.0      11.0
     200.0       1.2
     208.0       6.3
     209.0      10.9
     210.0      83.3
     211.0      36.5
     212.0       4.5
     227.0      41.4
     228.0       5.8
     238.0      14.2
     239.0       2.1
     254.0       2.3
     255.0       3.3
     256.0     100.0
     257.0      14.0
     258.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₆ O₆	0.043 g : 0.5 ml CDCl₃
diethyl 2,5-dioxo-1,4-cyclohexanedicarobxylate

    Assign.     Shift(ppm)

      A            12.20
      B             4.244
      C             3.175
      D             1.320

     Hz     ppm     Int.

   4876.63  12.203    329
   1707.29   4.272    146
   1700.15   4.255    444
   1693.01   4.237    454
   1685.86   4.219    156
   1268.98   3.176   1000
    534.85   1.339    461
    531.37   1.330     36
    527.70   1.321    903
    520.56   1.303    474

in CDCl3