Guanidineacetic acid(352-97-6) MS
Product NameGuanidineacetic acid
CAS352-97-6
Molecular FormulaC3H7N3O2
Molecular Weight117.11
InChIInChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKey BPMFZUMJYQTVII-UHFFFAOYSA-N
SmilesC(O)(=O)CNC(N)=N
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MassMS-NW-0618 guanidinoacetic acid C3H7N3O2 (Mass of molecular ion: 117)
Source Temperature: 230 °C Sample Temperature: 250 °C Direct, 75 eV
12.0 1.0 13.0 2.0 14.0 1.7 15.0 1.0 16.0 6.3 17.0 9.1 18.0 38.1 26.0 1.6 27.0 9.6 28.0 47.2 29.0 21.6 30.0 38.3 31.0 1.7 39.0 1.5 40.0 1.7 41.0 6.1 42.0 26.6 43.0 100.0 44.0 8.4 45.0 1.1 53.0 4.0 54.0 3.9 55.0 16.7 56.0 21.6 57.0 3.5 59.0 1.6 67.0 1.3 68.0 1.6 69.0 4.9 70.0 2.3 71.0 32.5 72.0 11.7 73.0 3.5 81.0 1.9 82.0 2.0 83.0 1.6 84.0 1.6 85.0 1.1 95.0 1.0 97.0 1.6 98.0 1.3 99.0 73.7 100.0 4.7 109.0 1.1 111.0 1.0
90 MHz in D2O
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1H NMR 89.56 MHz C3 H7 N3 O2 0.042 g : 0.5 ml D2O guanidinoacetic acid 
Assign. Shift(ppm)
B 3.792 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.339.88 3.795 1000 338.19 3.777 50
KBr disc
nujol mull
