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2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane

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2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SpectraBase Compound ID 6s52MIBbOqB
InChI InChI=1S/C18H28N4O7/c1-20-16-15(17(23)21(2)18(20)24)22(13-19-16)11-14-12-28-8-7-26-4-3-25-5-6-27-9-10-29-14/h13-14H,3-12H2,1-2H3
InChIKey IHSDPGJTRMOJRT-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C18H28N4O7
Exact Mass 412.195799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FB41LsOZfpS
Name 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.195799251 u
Formula C18H28N4O7
InChI InChI=1S/C18H28N4O7/c1-20-16-15(17(23)21(2)18(20)24)22(13-19-16)11-14-12-28-8-7-26-4-3-25-5-6-27-9-10-29-14/h13-14H,3-12H2,1-2H3
InChIKey IHSDPGJTRMOJRT-UHFFFAOYSA-N
Molecular Weight 412.443 g/mol
SMILES C12=C(C(N(C(N2C)=O)C)=O)N(CC2OCCOCCOCCOCCOC2)C=N1