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2-N-(1-Adamantyl)-6-o-allyl-2'-deoxyganosine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-N-(1-Adamantyl)-6-o-allyl-2'-deoxyganosine
SpectraBase Compound ID J1sf1pNEzba
InChI InChI=1S/C23H31N5O4/c1-2-3-31-21-19-20(28(12-24-19)18-7-16(30)17(11-29)32-18)25-22(26-21)27-23-8-13-4-14(9-23)6-15(5-13)10-23/h2,12-18,29-30H,1,3-11H2,(H,25,26,27)
InChIKey JORNZVQDPMNPGD-UHFFFAOYSA-N
Mol Weight 441.53 g/mol
Molecular Formula C23H31N5O4
Exact Mass 441.237604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPnzaoWNyJy
Name 2-N-(1-Adamantyl)-6-o-allyl-2'-deoxyganosine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.237604494 u
Formula C23H31N5O4
InChI InChI=1S/C23H31N5O4/c1-2-3-31-21-19-20(28(12-24-19)18-7-16(30)17(11-29)32-18)25-22(26-21)27-23-8-13-4-14(9-23)6-15(5-13)10-23/h2,12-18,29-30H,1,3-11H2,(H,25,26,27)
InChIKey JORNZVQDPMNPGD-UHFFFAOYSA-N
Molecular Weight 441.532 g/mol
SMILES C=12N(C=NC2=C(N=C(N1)NC12CC3CC(C2)CC(C1)C3)OCC=C)C1OC(CO)C(C1)O