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REL-(1S,3R,5S,5AS,7AS,7BR)-OCTAHYDRO-1-[N-(3,5-DINITROPHENYL)-CARBAMOXY]-5,7B-DIMETHYL-2H-CYCLOPENTA-[GH]-PYRROLIZIN-2-ONE

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REL-(1S,3R,5S,5AS,7AS,7BR)-OCTAHYDRO-1-[N-(3,5-DINITROPHENYL)-CARBAMOXY]-5,7B-DIMETHYL-2H-CYCLOPENTA-[GH]-PYRROLIZIN-2-ONE
SpectraBase Compound ID 8vt4caTEmmP
InChI InChI=1S/C18H20N4O7/c1-9-8-20-16(23)15(14-4-3-13(9)18(14,20)2)29-17(24)19-10-5-11(21(25)26)7-12(6-10)22(27)28/h5-7,9,13-15H,3-4,8H2,1-2H3,(H,19,24)
InChIKey IFQZHTZRGBTHTB-UHFFFAOYSA-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

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SpectraBase Spectrum ID 57IO0pu9UPg
Name REL-(1S,3R,5S,5AS,7AS,7BR)-OCTAHYDRO-1-[N-(3,5-DINITROPHENYL)-CARBAMOXY]-5,7B-DIMETHYL-2H-CYCLOPENTA-[GH]-PYRROLIZIN-2-ONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N4O7
InChI InChI=1S/C18H20N4O7/c1-9-8-20-16(23)15(14-4-3-13(9)18(14,20)2)29-17(24)19-10-5-11(21(25)26)7-12(6-10)22(27)28/h5-7,9,13-15H,3-4,8H2,1-2H3,(H,19,24)
InChIKey IFQZHTZRGBTHTB-UHFFFAOYSA-N
Literature Reference Author S.E.DENMARK,M.E.SCHNUTE,C.B.W.SENANAYAKE
Literature Reference Citation J.ORG.CHEM.,58,1859(1993)
Literature Reference DOI 10.1021/jo00059a044
Molecular Weight 404.379 g/mol
Solvent CDCl3
Source File Reference UWCS22478