Ethyl nitroacetate(626-35-7) ¹³C NMR

Product NameEthyl nitroacetate

CAS 626-35-7

Molecular FormulaC4H7NO4

Molecular Weight133.1

InChIInChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3

InChIKey FTKASJMIPSSXBP-UHFFFAOYSA-N

SmilesC(OCC)(=O)C[N+]([O-])=O

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Mass

MS-IW-1261          
ethyl nitroacetate
C4H7NO4             (Mass of molecular ion:    133)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      14.0       1.9
      15.0       3.1
      18.0       1.5
      26.0       2.7
      27.0      20.7
      28.0      16.8
      29.0      58.5
      30.0      20.2
      31.0      11.8
      41.0       4.6
      42.0      38.2
      43.0      21.0
      44.0      11.1
      45.0      27.1
      46.0       7.5
      54.0       1.7
      59.0      43.6
      60.0       2.5
      61.0       3.3
      74.0      14.6
      87.0      43.6
      88.0     100.0
      89.0       4.1
     106.0       3.4
     118.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₇ N O₄	0.05 ml : 0.5 ml CDCl₃
ethyl nitroacetate

    Assign.     Shift(ppm)

      A             5.204
      B             4.321
      C             1.328

     Hz     ppm     Int.

   2080.08   5.205   1000
   1737.92   4.349    213
   1730.71   4.331    540
   1723.63   4.313    535
   1716.43   4.295    217
    538.09   1.347    623
    530.88   1.329    964
    523.68   1.311    594

in CDCl3