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4-[1,6-Dihydro-6-oxopurin-9-yl]butyric acid
SpectraBase Compound ID ElkLEAz0vDk
InChI InChI=1S/C9H10N4O3/c14-6(15)2-1-3-13-5-12-7-8(13)10-4-11-9(7)16/h4-5H,1-3H2,(H,14,15)(H,10,11,16)
InChIKey PXAXEZXPFMUCBM-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C9H10N4O3
Exact Mass 222.07529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIHsUEbAJax
Name 4-[1,6-Dihydro-6-oxopurin-9-yl]butyric acid
Comments Computed using HOSE algorithm
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Exact Mass 222.075290195 u
Formula C9H10N4O3
InChI InChI=1S/C9H10N4O3/c14-6(15)2-1-3-13-5-12-7-8(13)10-4-11-9(7)16/h4-5H,1-3H2,(H,14,15)(H,10,11,16)
InChIKey PXAXEZXPFMUCBM-UHFFFAOYSA-N
Molecular Weight 222.204 g/mol
SMILES C12=C(C(NC=N2)=O)N=CN1CCCC(=O)O