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2,2-DIMETHYL-5-(EXO-8-HEXAHYDROAZEPINIO-BICYCLO-[5.1.0]-OCT-8-YL)-4-OXO-4H-1,3-DIOXIN-6-OLATE
SpectraBase Compound ID CXuqEgsk1pY
InChI InChI=1S/C20H31NO4/c1-19(2)24-17(22)16(18(23)25-19)20(21-12-8-3-4-9-13-21)14-10-6-5-7-11-15(14)20/h14-15,22H,3-13H2,1-2H3/t14-,15+,20+
InChIKey SFNDMCINFCKPPN-QVDMIQRCSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Csn0vZ0KOSM
Name 2,2-DIMETHYL-5-(EXO-8-HEXAHYDROAZEPINIO-BICYCLO-[5.1.0]-OCT-8-YL)-4-OXO-4H-1,3-DIOXIN-6-OLATE
Compound Number 8B B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-19(2)24-17(22)16(18(23)25-19)20(21-12-8-3-4-9-13-21)14-10-6-5-7-11-15(14)20/h14-15,22H,3-13H2,1-2H3/t14-,15+,20+
InChIKey SFNDMCINFCKPPN-QVDMIQRCSA-N
Literature Reference Author J.WEIDNER,E.VILSMAIER,C.HENN
Literature Reference Citation MH.CHEM.,118,1147(1987)
Literature Reference DOI 10.1007/BF00811288
Molecular Weight 349.470 g/mol
Solvent CD3OD/CD3ONA(2.5M)
Source File Reference UWCS3873