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(1R*,6AR*,9AR*)-3,5-DINITRO-N-[(OCTAHYDRO-2-OXO-2-H-CYCLOPENTA-[H]-PYRROLIZIN-1-YL)-OXY]-BENZAMIDE
SpectraBase Compound ID 5B3lJz5ZNsR
InChI InChI=1S/C17H18N4O7/c22-15-14(13-3-1-4-17(13)5-2-6-19(15)17)28-16(23)18-10-7-11(20(24)25)9-12(8-10)21(26)27/h7-9,13-14H,1-6H2,(H,18,23)/t13-,14+,17+/m1/s1
InChIKey BDIWIRSRIZZHBS-KEYYUXOJSA-N
Mol Weight 390.35 g/mol
Molecular Formula C17H18N4O7
Exact Mass 390.117549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Brsgoz4bz0d
Name (1R*,6AR*,9AR*)-3,5-DINITRO-N-[(OCTAHYDRO-2-OXO-2-H-CYCLOPENTA-[H]-PYRROLIZIN-1-YL)-OXY]-BENZAMIDE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N4O7
InChI InChI=1S/C17H18N4O7/c22-15-14(13-3-1-4-17(13)5-2-6-19(15)17)28-16(23)18-10-7-11(20(24)25)9-12(8-10)21(26)27/h7-9,13-14H,1-6H2,(H,18,23)/t13-,14+,17+/m1/s1
InChIKey BDIWIRSRIZZHBS-KEYYUXOJSA-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 390.353 g/mol
Sample ID 27967
Solvent CDCl3