1,3-Dioxo-2-isoindolineaceticacid(6296-53-3) MS

Product Name1,3-Dioxo-2-isoindolineaceticacid

CAS 6296-53-3

Molecular FormulaC10H7NO4

Molecular Weight205.17

InChIInChI=1S/C10H7NO4/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13/h2-4H,1H3,(H,11,12)

InChIKey PAUAJOABXCGLCN-UHFFFAOYSA-N

SmilesC(NC1=CC=CC2C(=O)OC(=O)C1=2)(=O)C

Request For Quotation

¹HNMR

IR1

IR2

Mass

MS-NW-7051          
phthalimidoacetic acid
C10H7NO4            (Mass of molecular ion:    205)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       3.0
      28.0       1.7
      37.0       1.3
      38.0       2.7
      39.0       1.1
      45.0       1.8
      50.0      13.6
      51.0       5.9
      52.0       3.3
      56.0       1.2
      66.0       3.5
      73.0       1.0
      74.0       5.3
      75.0       6.7
      76.0      19.9
      77.0      18.3
      78.0       2.2
     102.0       1.5
     103.0       1.2
     104.0      16.1
     105.0       7.6
     117.0       1.8
     130.0       1.9
     132.0       3.7
     133.0      11.3
     134.0       1.2
     160.0     100.0
     161.0      57.0
     162.0       6.0
     205.0       1.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₇ N O₄	0.039 g : 0.5 ml DMSO-d₆
phthalimidoacetic acid

    Assign.     Shift(ppm)

      A            13.3
      B             7.936
      C             7.893
      D             4.345

     Hz     ppm     Int.

   3177.76   7.952    246
   3174.64   7.944    256
   3172.81   7.939    194
   3171.71   7.937    243
   3169.15   7.930    447
   3165.30   7.921     94
   3164.75   7.919     88
   3161.64   7.912     89
   3161.09   7.910     97
   3157.24   7.901    423
   3154.49   7.894    211
   3153.58   7.891    192
   3151.75   7.887    232
   3148.63   7.879    231
   1736.60   4.346   1000

KBr disc