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N-(9-[(4,5,7-TRIMETHOXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)-METHYL]-9H-PURIN-6-YL)-BENZAMIDE

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N-(9-[(4,5,7-TRIMETHOXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)-METHYL]-9H-PURIN-6-YL)-BENZAMIDE
SpectraBase Compound ID HPbDanoecPG
InChI InChI=1S/C30H23N5O6/c1-39-18-11-20-24(22(12-18)41-3)27(37)23-19(26(20)36)9-16(10-21(23)40-2)13-35-15-33-25-28(31-14-32-29(25)35)34-30(38)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,31,32,34,38)
InChIKey PSGUUMQGNMKWBD-UHFFFAOYSA-N
Mol Weight 549.54 g/mol
Molecular Formula C30H23N5O6
Exact Mass 549.164833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwhOc6sqU78
Name N-(9-[(4,5,7-TRIMETHOXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)-METHYL]-9H-PURIN-6-YL)-BENZAMIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H23N5O6
InChI InChI=1S/C30H23N5O6/c1-39-18-11-20-24(22(12-18)41-3)27(37)23-19(26(20)36)9-16(10-21(23)40-2)13-35-15-33-25-28(31-14-32-29(25)35)34-30(38)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,31,32,34,38)
InChIKey PSGUUMQGNMKWBD-UHFFFAOYSA-N
Literature Reference Author D.GEIBLMEIR,H.FALK
Literature Reference Citation MH.CHEM.,139,1127(2008)
Literature Reference DOI 10.1007/s00706-008-0898-0
Molecular Weight 549.543 g/mol
Sample ID 40087
Solvent DMSO-D6