645-12-5

5-Nitro-2-furoic acid(645-12-5) IR2

Product Name5-Nitro-2-furoic acid

CAS 645-12-5

Molecular FormulaC5H3NO5

Molecular Weight157.08

InChIInChI=1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)

InChIKey IODMEDPPCXSFLD-UHFFFAOYSA-N

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

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5-Nitro-2-furoic acid(645-12-5) IR2
Mass

MS-NW-9538          
5-nitro-2-furoic acid
C5H3NO5             (Mass of molecular ion:    157)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       2.0
      18.0      10.3
      25.0       1.3
      26.0       8.6
      27.0      24.8
      28.0      10.2
      29.0       8.6
      30.0      23.7
      36.0       1.2
      37.0      10.4
      38.0      32.0
      39.0      17.2
      40.0       3.3
      41.0       3.1
      43.0       1.6
      44.0       7.2
      45.0      29.5
      46.0       1.5
      51.0       1.7
      52.0       5.1
      53.0       7.5
      54.0      11.2
      55.0       9.3
      65.0       1.3
      66.0       7.3
      68.0      12.5
      69.0       1.5
      71.0       6.4
      80.0       2.8
      81.0       1.0
      82.0       4.8
      83.0       2.3
      94.0       1.6
      96.0      45.0
      97.0       3.5
      99.0      64.4
     100.0       3.0
     113.0       1.1
     140.0       5.9
     141.0       4.5
     157.0     100.0
     158.0       8.9
     159.0       1.4

400MHZ in DMSO-d6