John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16PVQYiZTdg SpectraBase Spectrum ID=4xMufpvLt8U

(accessed ).
6-CHLORO-9-(4-BENZOYL-1-OXA-4-AZA-CYCLOHEXAN-2-YL)-9H-PURINE
SpectraBase Compound ID 16PVQYiZTdg
InChI InChI=1S/C16H14ClN5O2/c17-14-13-15(19-9-18-14)22(10-20-13)12-8-21(6-7-24-12)16(23)11-4-2-1-3-5-11/h1-5,9-10,12H,6-8H2
InChIKey PCWFCKZNNSRTIA-UHFFFAOYSA-N
Mol Weight 343.77 g/mol
Molecular Formula C16H14ClN5O2
Exact Mass 343.083603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xMufpvLt8U
Name 6-CHLORO-9-(4-BENZOYL-1-OXA-4-AZA-CYCLOHEXAN-2-YL)-9H-PURINE
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14ClN5O2
InChI InChI=1S/C16H14ClN5O2/c17-14-13-15(19-9-18-14)22(10-20-13)12-8-21(6-7-24-12)16(23)11-4-2-1-3-5-11/h1-5,9-10,12H,6-8H2
InChIKey PCWFCKZNNSRTIA-UHFFFAOYSA-N
Literature Reference Author B.M.PINTO,D.M.VYAS,W.A.SZAREK
Literature Reference Citation CAN.J.CHEM.,55,937(1977)
Literature Reference DOI 10.1139/v77-132
Molecular Weight 343.772 g/mol
Solvent CDCl3
Source File Reference UWED2074
SpectraBase Batch ID DzxhUWCWtWk