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1,10-bis-[3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl-)-2-hydroxypropyl]-diaza-18-crown-6

View entire compound with spectra: 1 NMR

1,10-bis-[3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl-)-2-hydroxypropyl]-diaza-18-crown-6
SpectraBase Compound ID 3srah78y8uX
InChI InChI=1S/C32H50N10O10/c1-35-27-25(29(45)37(3)31(35)47)41(21-33-27)19-23(43)17-39-5-9-49-13-15-51-11-7-40(8-12-52-16-14-50-10-6-39)18-24(44)20-42-22-34-28-26(42)30(46)38(4)32(48)36(28)2/h21-24,43-44H,5-20H2,1-4H3
InChIKey VDPCDHQGNOLPSR-UHFFFAOYSA-N
Mol Weight 734.8 g/mol
Molecular Formula C32H50N10O10
Exact Mass 734.371138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Di2olBMay1q
Name 1,10-bis-[3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl-)-2-hydroxypropyl]-diaza-18-crown-6
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 734.371137840 u
Formula C32H50N10O10
InChI InChI=1S/C32H50N10O10/c1-35-27-25(29(45)37(3)31(35)47)41(21-33-27)19-23(43)17-39-5-9-49-13-15-51-11-7-40(8-12-52-16-14-50-10-6-39)18-24(44)20-42-22-34-28-26(42)30(46)38(4)32(48)36(28)2/h21-24,43-44H,5-20H2,1-4H3
InChIKey VDPCDHQGNOLPSR-UHFFFAOYSA-N
Molecular Weight 734.812 g/mol
SMILES C12=C(C(N(C(N2C)=O)C)=O)N(CC(CN2CCOCCOCCN(CCOCCOCC2)CC(CN2C3=C(N(C)C(=O)N(C3=O)C)N=C2)O)O)C=N1