99-31-0

5-Aminoisophthalic acid(99-31-0) IR1

Product Name5-Aminoisophthalic acid

CAS 99-31-0

Molecular FormulaC8H7NO4

Molecular Weight181.15

InChIInChI=1S/C8H7NO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)

InChIKey KBZFDRWPMZESDI-UHFFFAOYSA-N

SmilesC1(C(O)=O)=CC(N)=CC(C(O)=O)=C1

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5-Aminoisophthalic acid(99-31-0) IR1
Mass

MS-IW-5794          
5-aminoisophthalic acid
C8H7NO4             (Mass of molecular ion:    181)

   Source Temperature: 190 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.5
      28.0       3.3
      38.0       1.3
      39.0       3.5
      41.0       2.0
      44.0       2.2
      45.0       1.5
      45.5       1.6
      52.0       3.1
      53.0       3.2
      62.0       2.4
      63.0       6.1
      64.0       2.5
      65.0       8.1
      66.0       1.2
      68.0       1.0
      79.0       3.1
      80.0       5.7
      81.0       1.1
      89.0       1.0
      90.0       1.9
      91.0       2.0
      92.0       2.1
     107.0       2.7
     108.0      13.4
     109.0       1.4
     118.0       1.7
     119.0       1.2
     135.0       5.0
     136.0      19.2
     137.0       1.9
     164.0      31.8
     165.0       3.0
     181.0     100.0
     182.0       9.5
     183.0       1.2

in DMSO-d6