2,4,5-TRIHYDROXYPYRIMIDINE(20636-41-3) IR1
Molecular FormulaC4H4N2O3
Molecular Weight128.09
InChIInChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
InChIKey OFJNVANOCZHTMW-UHFFFAOYSA-N
SmilesC1(=O)NC=C(O)C(=O)N1
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Assign. Shift(ppm)
A *1 11.06
B *1 10.08
C *1 6.8
D 6.837
J(C,D)=5.5HZ
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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Spectral Code: IR : KBr disc