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(E)-2-amino-6-chloro-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)purine

Compound with spectra: 2 NMR, and 2 MS (GC)

(E)-2-amino-6-chloro-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)purine
SpectraBase Compound ID 97gOrCuqicv
InChI InChI=1S/C17H28ClN5O6P2/c1-5-26-30(24,27-6-2)11-13(31(25,28-7-3)29-8-4)9-10-23-12-20-14-15(18)21-17(19)22-16(14)23/h9,12H,5-8,10-11H2,1-4H3,(H2,19,21,22)/b13-9+
InChIKey CJESAJOCGVOHEM-UKTHLTGXSA-N
Mol Weight 495.84 g/mol
Molecular Formula C17H28ClN5O6P2
Exact Mass 495.120335 g/mol

View Spectrum of (E)-2-amino-6-chloro-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)purine

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of (E)-2-amino-6-chloro-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)purine

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-57-2325-0

View Spectrum of (E)-2-amino-6-chloro-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)purine

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-57-2325-25

View Spectrum of (E)-2-amino-6-chloro-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)purine

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
DIETHYL-2-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-ETHOXYETHYLPHOSPHONATE
DIETHYL-4-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-BUTYLPHOSPHONATE
DIETHYL-2-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-ETHOXYMETHYLPHOSPHONATE
DIETHYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-PROPYLPHOSPHONATE
2-Amino-9-{[(trans)-1'-fluoro-2'-(acetoxymethyl)cycloprop-1'-yl]methyl}-6-chloropurine
(+/-)-2-AMINO-6-CHLORO-9-(cis-4'-HYDROXYCYCLOPENT-2'-ENYL)-PURIN
Tert-Butyl (2-{[(benzyloxy)carbonyl]amino}-6-chloro-9H-purin-9-yl)acetate
6-Chloranyl-2-(1-ethoxyethenyl)-9-(phenylmethyl)purine
2-AMINO-8-BROMO-6-CHLORO-9-(CYCLOHEXYL)-9H-PURINE
Diisopropyl{2-[6-(1-hydroxybutan-2-yl-amino)-2-amino-9H-purine-9-yl]ethoxy}methylphosphonate
Title Journal or Book Year
Unsaturated phosphonates as acyclic nucleotide analogs. Anomalous Michaelis-Arbuzov and Michaelis-Becker reactions with multiple bond systems The Journal of Organic Chemistry 1992

This compound is available in the following databases:

Wiley Registry of Mass Spectral Data 2023
Author: Wiley

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