Iminodiacetic acid(142-73-4) 13C NMR
Product NameIminodiacetic acid
CAS142-73-4
Molecular FormulaC4H7NO4
Molecular Weight133.1
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
InChIKey NBZBKCUXIYYUSX-UHFFFAOYSA-N
SmilesC(O)(=O)CNCC(O)=O
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MassMS-NW-0631 iminodiacetic acid C4H7NO4 (Mass of molecular ion: 133)
Source Temperature: 210 °C Sample Temperature: 160 °C Direct, 75 eV
14.0 2.0 15.0 6.7 17.0 1.2 18.0 4.7 27.0 1.1 28.0 12.6 29.0 2.3 30.0 17.7 31.0 4.2 40.0 1.7 41.0 5.1 42.0 100.0 43.0 11.2 44.0 7.4 45.0 5.1 58.0 1.6 59.0 1.1 60.0 18.0 70.0 1.1 74.0 1.0 88.0 59.0 89.0 2.5 115.0 2.9 133.0 3.5
parameter in D2O
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1H NMR 300 MHz C4 H7 N O4 0.033 g : 0.5 ml D2O iminodiacetic acid 
Parameter ppm Hz
D(A) 3.859
Hz ppm Int.1157.70 3.859 1000
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
