63245-28-3

依替菲宁(63245-28-3)质谱(MS)

分子式:C16H22N2O5

分子量: 322.36

InChI:InChI=1S/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)

InChIKey: WNIDXAKKFOKNEF-UHFFFAOYSA-N

Smiles:C(O)(=O)CN(CC(O)=O)CC(NC1=C(CC)C=CC=C1CC)=O

IR1

IR2

Mass

MS-NW-7338          
N-(2,6-diethylphenylcarbamoylmethyl)iminodiacetic acid
C16H22N2O5          (Mass of molecular ion:    322)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       1.8
      17.0       1.3
      18.0       5.3
      27.0       2.4
      28.0       3.6
      29.0       2.9
      30.0       2.4
      31.0       2.9
      39.0       3.1
      41.0       4.3
      42.0      46.9
      43.0       4.5
      44.0       6.1
      45.0       1.1
      51.0       2.2
      52.0       1.2
      53.0       2.0
      54.0       1.0
      55.0       1.1
      56.0       4.6
      57.0      16.4
      58.0      23.8
      59.0       2.3
      60.0       6.7
      63.0       1.4
      65.0       3.2
      70.0       1.0
      74.0       2.4
      77.0       6.4
      78.0       1.9
      79.0       2.9
      88.0      49.3
      89.0       3.4
      90.0       1.4
      91.0       7.5
      92.0       1.3
      93.0       1.1
      95.0       1.2
     100.0       2.5
     101.0      15.1
     102.0      53.3
     103.0       6.1
     104.0       2.3
     105.0       4.5
     106.0       2.1
     115.0       3.8
     116.0       2.6
     117.0       6.7
     118.0       7.4
     119.0       5.0
     120.0       5.0
     128.0       8.3
     129.0       2.0
     130.0       3.9
     131.0       2.9
     132.0       8.2
     133.0       3.8
     134.0      16.7
     135.0       2.2
     143.0       1.6
     144.0       2.1
     145.0       1.6
     146.0     100.0
     147.0       9.0
     148.0      27.0
     149.0      18.6
     150.0       4.2
     158.0       2.0
     159.0       1.3
     160.0      14.2
     161.0       4.0
     162.0       6.5
     163.0       1.0
     172.0       1.5
     173.0       2.2
     174.0       4.8
     175.0      10.0
     176.0      14.2
     177.0       2.2
     188.0       1.1
     189.0       2.3
     190.0       1.0
     191.0      11.2
     192.0       1.8
     217.0       1.8
     219.0       1.5
     231.0       1.7
     232.0       1.9
     233.0       1.5
     234.0       1.8
     259.0       2.5
     260.0       1.1
     263.0       1.1
     277.0       5.1
     278.0       1.6
     304.0       3.9
     305.0       1.0
     322.0       9.7
     323.0       2.0

KBr disc