583-93-7

2,6-二氨基庚二酸(583-93-7)红外图谱(IR1)

产品名称:2,6-二氨基庚二酸

CAS:583-93-7

分子式:C7H14N2O4

分子量: 190.2

InChI:InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)

InChIKey: GMKMEZVLHJARHF-UHFFFAOYSA-N

Smiles:C(O)(=O)C(N)CCCC(N)C(O)=O

Mass

MS-NW-2014          
2,6-diaminopimelic acid
C7H14N2O4 (H2O)     (Mass of molecular ion:    190)

   Source Temperature: 210 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      20.0       2.0
      22.0       1.9
      25.0       1.2
      26.0       6.6
      27.0      23.9
      28.0      38.9
      29.0      10.7
      30.0      18.6
      36.0       2.2
      37.0       1.6
      38.0       3.4
      39.0      18.8
      40.0       5.9
      41.0      29.3
      42.0      13.7
      43.0      24.5
      44.0     100.0
      45.0       3.5
      46.0       1.3
      50.0       3.8
      51.0       7.6
      52.0       9.3
      53.0      11.4
      54.0      27.7
      55.0      40.5
      56.0      74.2
      57.0      14.5
      58.0       2.0
      59.0       1.2
      62.0       1.0
      63.0       1.7
      64.0       1.3
      65.0       3.6
      66.0       4.4
      67.0       9.3
      68.0      14.1
      69.0      12.0
      70.0      13.2
      71.0       7.9
      72.0       6.4
      73.0       2.3
      74.0       3.4
      75.0       1.6
      76.0       1.0
      77.0       1.8
      78.0       4.1
      79.0       9.0
      80.0      13.2
      81.0      11.0
      82.0      45.1
      83.0      32.5
      84.0      13.6
      85.0       1.5
      86.0       1.0
      89.0       1.1
      90.0       1.4
      91.0       4.1
      92.0       2.4
      93.0       5.3
      94.0       3.8
      95.0       2.8
      96.0       3.1
      97.0       4.6
      98.0       3.7
      99.0       3.7
     100.0       2.2
     102.0       1.2
     103.0       2.1
     104.0       2.1
     105.0       1.5
     106.0       1.6
     107.0       2.2
     108.0       3.7
     109.0       7.4
     110.0       5.0
     111.0       9.5
     112.0       1.7
     115.0       1.4
     116.0       1.3
     118.0       2.1
     119.0       1.0
     121.0       1.2
     122.0       1.5
     123.0       1.6
     124.0       1.3
     125.0       1.1
     126.0       5.3
     127.0      12.4
     128.0      18.3
     129.0       5.1
     133.0       1.1
     134.0       1.0
     136.0       2.0
     137.0       1.2
     143.0       2.5
     144.0       1.5
     145.0       1.8
     148.0       1.6
     149.0       1.0
     150.0       1.1
     151.0       1.7
     154.0       8.5
     155.0       1.3
     164.0       1.2
     167.0       2.4
     172.0       3.7
     182.0       1.3

400 MHz in D2O

¹H NMR	399.65 MHz
C₇ H₁₄ N₂ O₄	saturated in D₂O
2,6-diaminopimelic acid

    Assign.     Shift(ppm)

      A             3.786
      A             3.751
      B             1.92
      C             1.52
      C             1.48
     
     THE SOLVENT PEAK SUPPRESSED.
     MIXTURE OF OPTICAL ISOMERS.

     Hz     ppm     Int.

   1519.04   3.801    383
   1513.06   3.786    832
   1507.08   3.771    486
   1506.10   3.769    496
   1500.24   3.754    421
   1499.27   3.752    544
   1493.65   3.738    365
    781.25   1.955    339
    780.88   1.954    340
    777.83   1.947    317
    772.71   1.934    639
    771.36   1.931   1000
    767.09   1.920    607
    764.65   1.914    734
    761.72   1.906    315
    760.74   1.904    292
    758.30   1.898    498
    754.52   1.888    207
    753.17   1.885    200
    597.41   1.495    192
    595.70   1.491    227
    595.34   1.490    216
    594.12   1.487    164
    593.63   1.486    163
    589.72   1.476    340
    585.08   1.464    176
    584.72   1.464    177
    584.23   1.462    177
    583.62   1.461    179
    582.64   1.458    169
    582.28   1.457    169
    581.79   1.456    168
    580.69   1.453    166
    579.83   1.451    163

in D2O