John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1HDnBLaKOVF SpectraBase Spectrum ID=IuDh3AyQu9Q

(accessed ).
8-ETHOXYCARBONYL-7-DEAZAGUANINE
SpectraBase Compound ID 1HDnBLaKOVF
InChI InChI=1S/C9H10N4O3/c1-2-16-8(15)5-3-4-6(11-5)12-9(10)13-7(4)14/h3H,2H2,1H3,(H4,10,11,12,13,14)
InChIKey FWQJILPSHSIMHB-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 IuDh3AyQu9Q
Name 8-ETHOXYCARBONYL-7-DEAZAGUANINE
Compound Number 13B
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Formula C9H10N4O3
InChI InChI=1S/C9H10N4O3/c1-2-16-8(15)5-3-4-6(11-5)12-9(10)13-7(4)14/h3H,2H2,1H3,(H4,10,11,12,13,14)
InChIKey FWQJILPSHSIMHB-UHFFFAOYSA-N
Literature Reference Author C.L.GIBSON,K.OHTA,K.PAULINI,C.J.SUCKLING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3025(1998)
Literature Reference DOI 10.1039/a804037k
Molecular Weight 222.203 g/mol
Solvent DMSO-D6
Source File Reference UWMZ6344
SpectraBase Batch ID KIHmpd4JoHS