Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>3112-31-0More Spectrum> 3,5-PYRAZOLEDICARBOXYLIC ACID(3112-31-0) IR1

3,5-PYRAZOLEDICARBOXYLIC ACID(3112-31-0) IR1

Molecular FormulaC5H4N2O4

Molecular Weight156.1

InChIInChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)

InChIKey YDMVPJZBYSWOOP-UHFFFAOYSA-N

SmilesN1C(C(O)=O)=CC(C(O)=O)=N1


  • Mass

    MS-NW-9421          
    3,5-pyrazoledicarboxylic acid
    C5H4N2O4            (Mass of molecular ion:    156)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       1.2
          18.0       5.1
          25.0       1.2
          26.0       1.7
          27.0       3.9
          28.0      15.7
          29.0       6.2
          33.0       2.4
          36.0       1.9
          37.0       7.9
          38.0      19.9
          39.0      23.3
          40.0      32.2
          41.0       5.4
          42.0       1.6
          44.0       6.7
          45.0      31.8
          50.0       1.0
          51.0       1.3
          52.0       2.4
          53.0      11.8
          54.0       7.9
          55.0       2.8
          61.0       3.0
          64.0       1.0
          65.0      33.6
          66.0      35.4
          67.0      55.5
          68.0      13.2
          69.0       2.4
          82.0      12.4
          83.0       1.0
          93.0      15.3
          94.0      10.4
          95.0       1.7
         109.0       1.0
         110.0       4.1
         112.0      86.6
         113.0       4.6
         121.0      77.1
         122.0       4.9
         126.0       4.2
         138.0       2.3
         139.0      25.1
         140.0       1.6
         156.0     100.0
         157.0       7.2
         158.0       1.0
    

parameter in DMSO-d6


  • 1H NMR 300 MHz
    C5 H4 N2 O4 saturated in DMSO-d6
    3,5-pyrazoledicarboxylic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.156

         Hz     ppm     Int.
    

       2146.80   7.156   1000
    

in DMSO-d6



KBr disc



nujol mull



3,5-PYRAZOLEDICARBOXYLIC ACID(3112-31-0) IR1 Atlas of Related Products

×