17874-79-2

5-(Methoxycarbonyl)pyridine-2-carboxylic acid(17874-79-2) MS

Product Name5-(Methoxycarbonyl)pyridine-2-carboxylic acid

CAS 17874-79-2

Molecular FormulaC8H7NO4

Molecular Weight181.15

InChIInChI=1S/C8H7NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h2-4H,1H3,(H,10,11)

InChIKey NTCKZTBRFXTYBD-UHFFFAOYSA-N

SmilesC1(C(O)=O)=NC=C(C(OC)=O)C=C1

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¹HNMR

IR1

IR2

5-(Methoxycarbonyl)pyridine-2-carboxylic acid(17874-79-2) MS
Mass

MS-IW-2693          
5-methyl hydrogen 2,5-pyridinedicarboxylate
C8H7NO4             (Mass of molecular ion:    181)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       9.2
      17.0       8.0
      18.0      36.2
      26.0       2.9
      27.0       2.8
      28.0       5.6
      29.0       1.7
      37.0       1.4
      38.0       3.3
      38.5       1.9
      39.0       5.4
      44.0       1.0
      45.0       5.3
      49.0       2.9
      50.0      17.2
      51.0      27.8
      52.0       6.1
      52.5       2.1
      53.0       4.1
      59.0       8.7
      65.0       2.8
      66.0       3.0
      75.0       3.1
      76.0       6.7
      77.0      16.3
      78.0      21.7
      79.0       3.9
      80.0       1.2
      92.0       1.9
      93.0       2.3
      94.0       2.8
     104.0       3.5
     105.0       5.8
     106.0      16.5
     107.0       1.4
     122.0      27.4
     123.0       3.2
     136.0       6.6
     137.0     100.0
     138.0       8.1
     149.0       1.0
     150.0      35.6
     151.0       3.2
     164.0       1.3
     181.0       1.9