2-Nitroethanol(625-48-9) ¹³C NMR

Product Name2-Nitroethanol

CAS 625-48-9

Molecular FormulaC2H5NO3

Molecular Weight91.07

InChIInChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2

InChIKey KIPMDPDAFINLIV-UHFFFAOYSA-N

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

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Mass

MS-IW-1255          
2-nitroethanol
C2H5NO3             (Mass of molecular ion:     91)

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

      14.0       1.5
      15.0       7.7
      17.0       1.8
      18.0       9.3
      19.0      13.8
      26.0       2.6
      27.0      45.5
      28.0      14.9
      29.0      20.7
      30.0      21.3
      31.0      26.0
      32.0       1.1
      39.0       1.0
      41.0       4.3
      42.0       4.1
      43.0      28.2
      44.0      24.4
      45.0     100.0
      46.0       7.3
      57.0       1.4
      58.0       1.1
      59.0       4.4
      61.0      10.0
      62.0       1.7
      73.0       2.4
      74.0       1.5
      75.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂ H₅ N O₃	0.05 ml : 0.5 ml CDCl₃
2-nitroethanol

    Assign.     Shift(ppm)

      A             4.545
      B             4.110
      C             3.59

     Hz     ppm     Int.

   1821.29   4.558    965
   1818.85   4.552    393
   1817.87   4.549    575
   1816.41   4.546    848
   1814.70   4.541    548
   1813.72   4.539    410
   1811.52   4.533   1000
   1647.46   4.123    847
   1644.17   4.115    455
   1642.46   4.110    783
   1640.99   4.107    459
   1637.70   4.098    733
   1628.30   4.075     29
   1435.06   3.591    207

in CDCl3