For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R*,6AR*,10AR*)-3,5-DINITRO-N-[(OCTAHYDRO-2-OXO-2-H-CYCLOHEXA-[H]-PYRROLIZIN-1-YL)-OXY]-BENZAMIDE
SpectraBase Compound ID A52VSFGWjlS
InChI InChI=1S/C18H20N4O7/c23-16-15(14-4-1-2-5-18(14)6-3-7-20(16)18)29-17(24)19-11-8-12(21(25)26)10-13(9-11)22(27)28/h8-10,14-15H,1-7H2,(H,19,24)/t14-,15+,18+/m0/s1
InChIKey DEXNPNPVINJAAR-HDMKZQKVSA-N
Mol Weight 404.38 g/mol
Molecular Formula C18H20N4O7
Exact Mass 404.133199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7eNvFrxbjy0
Name (1R*,6AR*,10AR*)-3,5-DINITRO-N-[(OCTAHYDRO-2-OXO-2-H-CYCLOHEXA-[H]-PYRROLIZIN-1-YL)-OXY]-BENZAMIDE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N4O7
InChI InChI=1S/C18H20N4O7/c23-16-15(14-4-1-2-5-18(14)6-3-7-20(16)18)29-17(24)19-11-8-12(21(25)26)10-13(9-11)22(27)28/h8-10,14-15H,1-7H2,(H,19,24)/t14-,15+,18+/m0/s1
InChIKey DEXNPNPVINJAAR-HDMKZQKVSA-N
Literature Reference Author S.E.DENMARK,D.S.MIDDLETON
Literature Reference Citation J.ORG.CHEM.,63,1604(1998)
Literature Reference DOI 10.1021/jo9719057
Molecular Weight 404.379 g/mol
Sample ID 27968
Solvent CDCl3