1,3-Dioxo-2-isoindolineaceticacid(6296-53-3) IR1
Product Name1,3-Dioxo-2-isoindolineaceticacid
CAS6296-53-3
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
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MassMS-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
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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
nujol mull
