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1-(ADENIN-3-YL)-2-HYDROXY-4-OXAPENT-5-YL-12-CROWN-4
SpectraBase Compound ID 5mYuZJCnRcH
InChI InChI=1S/C17H27N5O6/c18-16-15-17(20-11-19-15)22(12-21-16)7-13(23)8-27-10-14-9-26-4-3-24-1-2-25-5-6-28-14/h11-14,23H,1-10,18H2
InChIKey NBSDNMQHBTUYGN-UHFFFAOYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C17H27N5O6
Exact Mass 397.196134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUxnHxUUiaf
Name 1-(ADENIN-3-YL)-2-HYDROXY-4-OXAPENT-5-YL-12-CROWN-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H27N5O6
InChI InChI=1S/C17H27N5O6/c18-16-15-17(20-11-19-15)22(12-21-16)7-13(23)8-27-10-14-9-26-4-3-24-1-2-25-5-6-28-14/h11-14,23H,1-10,18H2
InChIKey NBSDNMQHBTUYGN-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