Diethyl aminomalonate hydrochloride(13433-00-6) IR2

Product NameDiethyl aminomalonate hydrochloride

CAS 13433-00-6

Molecular FormulaC7H14ClNO4

Molecular Weight211.64

InChIInChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H

InChIKey GLFVNTDRBTZJIY-UHFFFAOYSA-N

SmilesC(N)(C(=O)OCC)C(=O)OCC.Cl

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Mass

MS-NW-6399          
diethyl aminomalonate hydrochloride
C7H13NO4 HCl        (Mass of molecular ion:    175)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.2
      17.0       2.1
      18.0       9.8
      19.0       2.9
      26.0       3.0
      27.0      15.5
      28.0      50.7
      29.0      51.6
      30.0       2.5
      31.0       6.1
      36.0       7.7
      38.0       2.5
      43.0       2.2
      44.0       4.0
      45.0       5.5
      46.0      10.8
      47.0       2.7
      56.0       4.8
      57.0       5.7
      73.0       1.1
      74.0      48.7
      75.0       2.0
     100.0       3.2
     101.0       1.6
     102.0     100.0
     103.0       6.6
     129.0       3.4
     130.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₃ N O₄	0.041 g : 0.5 ml CDCl₃
diethyl aminomalonate hydrochloride

    Assign.     Shift(ppm)

      A             9.
      B             5.040
      C             4.337
      D             1.326

     Hz     ppm     Int.

    823.31   9.193     38
    451.44   5.041    128
    399.69   4.463     74
    392.69   4.385    256
    385.81   4.308    315
    383.44   4.282     37
    378.69   4.229    117
    125.88   1.406    399
    120.88   1.350     30
    118.75   1.326   1000
    115.50   1.290     37
    111.56   1.246    367
    109.94   1.228     45

in CDCl3