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benzoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester

View entire compound with spectra: 1 NMR

benzoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester
SpectraBase Compound ID Ap8ioULt5ae
InChI InChI=1S/C15H15N5O4/c16-15-18-12-11(13(21)19-15)17-8-20(12)9-23-6-7-24-14(22)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H3,16,18,19,21)
InChIKey XAZMDVUJLSYFIQ-UHFFFAOYSA-N
Mol Weight 329.32 g/mol
Molecular Formula C15H15N5O4
Exact Mass 329.112404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CMXtcDYy7a
Name benzoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15N5O4
InChI InChI=1S/C15H15N5O4/c16-15-18-12-11(13(21)19-15)17-8-20(12)9-23-6-7-24-14(22)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H3,16,18,19,21)
InChIKey XAZMDVUJLSYFIQ-UHFFFAOYSA-N
Literature Reference Author H.GAO,A.K.MITRA
Literature Reference Citation MAGN.RES.CHEM.,37,687(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199909)37:9<687::aid-mrc510>3.0.co;2-k
Molecular Weight 329.315 g/mol
Solvent DMSO-D6
Source File Reference UWGE5030