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1-(ADENIN-3-YL)-2-HYDROXY-4-OXAPENT-5-YL-15-CROWN-5
SpectraBase Compound ID GDXqLXoUjKx
InChI InChI=1S/C19H31N5O7/c20-18-17-19(22-13-21-17)24(14-23-18)9-15(25)10-30-12-16-11-29-6-5-27-2-1-26-3-4-28-7-8-31-16/h13-16,25H,1-12,20H2
InChIKey KCQUIQUVKAOMSY-UHFFFAOYSA-N
Mol Weight 441.49 g/mol
Molecular Formula C19H31N5O7
Exact Mass 441.222348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbMFzYqixk6
Name 1-(ADENIN-3-YL)-2-HYDROXY-4-OXAPENT-5-YL-15-CROWN-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H31N5O7
InChI InChI=1S/C19H31N5O7/c20-18-17-19(22-13-21-17)24(14-23-18)9-15(25)10-30-12-16-11-29-6-5-27-2-1-26-3-4-28-7-8-31-16/h13-16,25H,1-12,20H2
InChIKey KCQUIQUVKAOMSY-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference P.HOLY, M.BELOHRADSKY, I.STIBOR, J.KOUDELKA, D.SAMAN, J.HODACOVA, A.HOLY,J.ZAVADA (1987) Coll.Czech.Chem.Comm.: v.52, N12, 2971-2982.
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo