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6-AMINO-4,5-DIHYDRO-8H-1-(2-PHOSPHONYLMETHOXYETHYL)-IMIDAZO-[4,5-E]-[1,3]-DIAZEPINE-4,8-DIONE
SpectraBase Compound ID LZaN1qLlJUW
InChI InChI=1S/C9H12N5O6P/c10-9-12-7(15)5-6(8(16)13-9)14(3-11-5)1-2-20-4-21(17,18)19/h3H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,15,16)
InChIKey JCGMLVMDXOSEQL-UHFFFAOYSA-N
Mol Weight 317.2 g/mol
Molecular Formula C9H12N5O6P
Exact Mass 317.05252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GiXltLBLHZ
Name 6-AMINO-4,5-DIHYDRO-8H-1-(2-PHOSPHONYLMETHOXYETHYL)-IMIDAZO-[4,5-E]-[1,3]-DIAZEPINE-4,8-DIONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10N5O6P
InChI InChI=1S/C9H12N5O6P/c10-9-12-7(15)5-6(8(16)13-9)14(3-11-5)1-2-20-4-21(17,18)19/h3H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,15,16)
InChIKey JCGMLVMDXOSEQL-UHFFFAOYSA-N
Literature Reference Author H.M.CHEN,R.S.HOSMANE
Literature Reference Citation J.HETCYCL.CHEM.,38,1313(2001)
Literature Reference DOI 10.1002/jhet.5570380611
Molecular Weight 315.182 g/mol
Solvent DMSO-D6
Source File Reference UWLU21555