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ACETIC-ACID-6-ACETOXYMETHYL-2-BENZYL-8,9-DIMETHYL-2-AZABICYCLO-[3.3.1]-NON-6-EN-8-YLMETHYLESTER;MAJOR-ISOMER
SpectraBase Compound ID AmXU48h5Hfc
InChI InChI=1S/C23H31NO4/c1-16-21-10-11-24(13-19-8-6-5-7-9-19)22(16)23(4,15-28-18(3)26)12-20(21)14-27-17(2)25/h5-9,12,16,21-22H,10-11,13-15H2,1-4H3/t16-,21+,22-,23+/m1/s1
InChIKey FAYUTVYKVNEEOB-WBLPJHHHSA-N
Mol Weight 385.5 g/mol
Molecular Formula C23H31NO4
Exact Mass 385.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJJvi4XCJee
Name ACETIC-ACID-6-ACETOXYMETHYL-2-BENZYL-8,9-DIMETHYL-2-AZABICYCLO-[3.3.1]-NON-6-EN-8-YLMETHYLESTER;MAJOR-ISOMER
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO4
InChI InChI=1S/C23H31NO4/c1-16-21-10-11-24(13-19-8-6-5-7-9-19)22(16)23(4,15-28-18(3)26)12-20(21)14-27-17(2)25/h5-9,12,16,21-22H,10-11,13-15H2,1-4H3/t16-,21+,22-,23+/m1/s1
InChIKey FAYUTVYKVNEEOB-WBLPJHHHSA-N
Literature Reference Author K.JAKUBOWICZ,K.B.ABDELJELIL,M.HERDEMANN,M.T.MARTIN,A.GATEAU- OLESKER,A.A.MOURABIT
Literature Reference Citation J.ORG.CHEM.,64,7381(1999)
Literature Reference DOI 10.1021/jo990604p
Molecular Weight 385.503 g/mol
Sample ID 59376
Solvent CDCl3