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(+/-)-(5R,9S,10R)-10-(3-FURYL)-7-(HEPT-5-YN-1-YL)-2-METHYL-9-NITRO-2,7-DIAZA-SPIRO-[4.5]-DECANE-1,6-DIONE
SpectraBase Compound ID 3FGLoK9sGXC
InChI InChI=1S/C20H25N3O5/c1-3-4-5-6-7-10-22-13-16(23(26)27)17(15-8-12-28-14-15)20(19(22)25)9-11-21(2)18(20)24/h8,12,14,16-17H,5-7,9-11,13H2,1-2H3/t16-,17+,20-/m1/s1
InChIKey SSEBWGDWVPMNMO-FUHIMQAGSA-N
Mol Weight 387.44 g/mol
Molecular Formula C20H25N3O5
Exact Mass 387.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vIO5HyiNVZ
Name (+/-)-(5R,9S,10R)-10-(3-FURYL)-7-(HEPT-5-YN-1-YL)-2-METHYL-9-NITRO-2,7-DIAZA-SPIRO-[4.5]-DECANE-1,6-DIONE
Compound Number 1J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N3O5
InChI InChI=1S/C20H25N3O5/c1-3-4-5-6-7-10-22-13-16(23(26)27)17(15-8-12-28-14-15)20(19(22)25)9-11-21(2)18(20)24/h8,12,14,16-17H,5-7,9-11,13H2,1-2H3/t16-,17+,20-/m1/s1
InChIKey SSEBWGDWVPMNMO-FUHIMQAGSA-N
Literature Reference Author P.JAKUBEC,D.M.COCKFIELD,M.HELLIWELL,J.RAFTERY,D.J.DIXON
Literature Reference Citation BEIL.J.ORG.CHEM.,8,567(2012)
Literature Reference DOI 10.3762/bjoc.8.64
Molecular Weight 387.436 g/mol
Solvent CDCl3
Source File Reference UWIR10437