698-63-5

5-Nitrofurfural (698-63-5) ¹H NMR

Product Name5-Nitrofurfural

CAS 698-63-5

Molecular FormulaC5H3NO4

Molecular Weight141.08

InChIInChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H

InChIKey SXINBFXPADXIEY-UHFFFAOYSA-N

SmilesO1C([N+]([O-])=O)=CC=C1C=O

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¹HNMR

IR1

Raman

5-Nitrofurfural (698-63-5) <sup>1</sup>H NMR
Mass

MS-NW-1401          
5-nitro-2-furaldehyde
C5H3NO4             (Mass of molecular ion:    141)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      12.0       1.1
      13.0       1.6
      18.0       2.3
      25.0       3.3
      26.0      14.1
      27.0      38.2
      28.0       8.1
      29.0      51.3
      30.0      62.1
      36.0       2.9
      37.0      22.8
      38.0      66.7
      39.0      79.4
      40.0       6.5
      41.0       6.3
      42.0       1.1
      44.0       3.5
      46.0       1.7
      49.0       2.0
      50.0       4.5
      51.0       4.7
      52.0       8.2
      53.0       5.7
      54.0      12.4
      55.0      28.1
      66.0      13.2
      67.0       1.4
      68.0      19.2
      80.0       3.7
      82.0       4.4
      83.0      43.5
      84.0       2.0
      94.0       2.4
      96.0      38.3
      97.0       2.0
     111.0       9.6
     125.0       1.2
     140.0       1.0
     141.0     100.0
     142.0       6.7
     143.0       1.0