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ENDO-TRANS-[ETA(6)-4-BENZYL-3-(DIPROPYLAMINO)-CHROMAN]-CR(CO)3
SpectraBase Compound ID 9Ocw1b9giqt
InChI InChI=1S/C22H25NO.3CO.Cr/c1-3-14-23(15-4-2)21-17-24-22-13-9-8-12-19(22)20(21)16-18-10-6-5-7-11-18;3*1-2;/h5-7,10-11,20-21H,3-4,14-17H2,1-2H3;;;;/t20-,21-;;;;/m1..../s1
InChIKey NAHGFNVAPFYVMD-ZPVXIRCVSA-N
Mol Weight 455.47 g/mol
Molecular Formula C25H25CrNO4
Exact Mass 455.118863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXto9bGu8n9
Name ENDO-TRANS-[ETA(6)-4-BENZYL-3-(DIPROPYLAMINO)-CHROMAN]-CR(CO)3
Compound Number 10-ENDO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25CrNO4
InChI InChI=1S/C22H25NO.3CO.Cr/c1-3-14-23(15-4-2)21-17-24-22-13-9-8-12-19(22)20(21)16-18-10-6-5-7-11-18;3*1-2;/h5-7,10-11,20-21H,3-4,14-17H2,1-2H3;;;;/t20-,21-;;;;/m1..../s1
InChIKey NAHGFNVAPFYVMD-ZPVXIRCVSA-N
Literature Reference Author M.BRISANDER,P.CALDIROLA,A.M.JOHANSSON,U.HACKSELL
Literature Reference Citation J.ORG.CHEM.,63,5362(1998)
Literature Reference DOI 10.1021/jo980133r
Molecular Weight 455.474 g/mol
Sample ID 28589
Solvent CDCl3