HYDANTOIC ACID(462-60-2) MS
Product NameHYDANTOIC ACID
CAS462-60-2
Molecular FormulaC3H6N2O3
Molecular Weight118.09
InChIInChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
InChIKey KZVRXPPUJQRGFN-UHFFFAOYSA-N
SmilesC(O)(=O)CNC(N)=O
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MassMS-NW-0414 hydantoic acid C3H6N2O3 (Mass of molecular ion: 118)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
16.0 5.9 17.0 8.4 18.0 2.8 27.0 4.5 28.0 29.2 29.0 21.8 30.0 100.0 31.0 3.3 42.0 4.7 43.0 18.3 44.0 18.8 45.0 4.7 56.0 7.0 57.0 7.2 72.0 1.6 73.0 41.1 74.0 11.6 75.0 5.9 100.0 4.6 101.0 5.5 118.0 1.7
90 MHz in D2O
parameter in D2O
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1H NMR 89.56 MHz C3 H6 N2 O3 0.046 g : 0.5 ml D2O hydantoic acid 
Assign. Shift(ppm)
B 3.898 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.349.38 3.902 1000 342.69 3.827 43 342.38 3.823 42 341.06 3.809 33 340.38 3.801 32 339.06 3.786 26
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1H NMR 300 MHz C3 H6 N2 O3 saturated in D2O hydantoic acid Parameter ppm Hz
D(A) 3.898
Hz ppm Int.1169.40 3.898 1000
in D2O
KBr disc
nujol mull
