雙羥甲基丙二酸二乙酯(20605-01-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:雙羥甲基丙二酸二乙酯

CAS:20605-01-0

分子式:C9H16O6

分子量: 220.22

InChI:InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3

InChIKey: WIOHBOKEUIHYIC-UHFFFAOYSA-N

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

Mass

MS-NW-6508          
diethyl bis(hydroxymethyl)malonate
C9H16O6             (Mass of molecular ion:    220)

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

      14.0       2.0
      15.0       5.5
      17.0       2.1
      18.0       9.6
      19.0       1.9
      26.0      10.0
      27.0      35.0
      28.0      16.2
      29.0     100.0
      30.0      35.9
      31.0      14.3
      39.0       1.0
      41.0       2.2
      42.0      13.2
      43.0      31.1
      44.0       4.4
      45.0      19.3
      46.0       1.5
      47.0       2.7
      53.0       3.7
      54.0      12.2
      55.0      22.6
      56.0       4.2
      57.0       1.5
      58.0       2.4
      60.0       8.3
      61.0       3.9
      69.0       8.3
      70.0       3.4
      71.0       9.7
      72.0      10.3
      73.0       8.6
      82.0       3.0
      83.0       5.3
      84.0       1.1
      85.0       2.2
      86.0       6.0
      87.0      12.7
      88.0      16.1
      89.0       5.9
      97.0       1.1
      98.0       2.2
      99.0      53.2
     100.0      12.9
     101.0       5.6
     104.0       1.5
     105.0       2.6
     108.0       2.0
     114.0       3.2
     115.0      48.4
     116.0       6.7
     117.0      16.6
     118.0       1.7
     125.0       1.0
     126.0      17.6
     127.0      73.9
     128.0      10.7
     129.0       2.2
     131.0       1.4
     132.0       2.3
     133.0      21.9
     134.0       1.4
     143.0       7.7
     144.0       4.8
     145.0       9.6
     146.0       1.1
     160.0       6.2
     173.0       1.3
     175.0       1.0
     189.0       3.3
     190.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₆ O₆	0.046 g : 0.5 ml CDCl₃
diethyl bis(hydroxymethyl)malonate

    Assign.     Shift(ppm)

      A             4.24
      B             4.108
      C             3.0
      D             1.28

     Hz     ppm     Int.

    391.25   4.369    140
    384.13   4.290    487
    381.06   4.255     35
    380.63   4.251     36
    380.19   4.246     36
    379.56   4.239     34
    377.00   4.210    523
    373.19   4.167     39
    369.81   4.130    246
    367.75   4.107    566
    266.56   2.977     63
    121.75   1.360    511
    116.31   1.299     31
    114.69   1.281   1000
    110.44   1.234     36
    109.88   1.227     30
    109.25   1.220     32
    107.50   1.201    460

in CDCl3