4-Amino-5-imidazolecarboxamide hydrochloride(72-40-2) MS
Product Name4-Amino-5-imidazolecarboxamide hydrochloride
CAS72-40-2
Molecular FormulaC4H7ClN4O
Molecular Weight162.58
InChIInChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H
InChIKey MXCUYSMIELHIQL-UHFFFAOYSA-N
SmilesC1(N=CNC=1N)C(=O)N.Cl
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MassMS-NW-6203 4-amino-5-imidazolecarboxamide hydrochloride C4H6N4O HCl (Mass of molecular ion: 126)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
16.0 1.3 17.0 2.1 18.0 3.6 27.0 5.6 28.0 43.5 29.0 9.3 35.0 9.4 36.0 60.5 37.0 3.3 38.0 19.5 39.0 2.2 40.0 3.3 41.0 1.4 42.0 1.3 43.0 8.9 44.0 11.2 45.0 7.4 53.0 7.1 54.0 30.9 55.0 19.1 56.0 6.6 66.0 1.2 67.0 1.4 68.0 1.9 71.0 2.8 81.0 9.3 82.0 6.1 83.0 1.3 108.0 3.2 109.0 57.9 110.0 13.2 126.0 100.0 127.0 6.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H6 N4 O 0.033 g : 0.5 ml DMSO-d6 4-amino-5-imidazolecarboxamide hydrochloride 
Assign. Shift(ppm)
A 8.634
Hz ppm Int.3450.93 8.635 1000
D2O
in DMSO-d6
KBr disc
nujol mull
