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1-(4-METHYLPHENYL)-4A,9,10,10A-HEXAHYDRO-PHENANTHREN-3-(4H)-ONE

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1-(4-METHYLPHENYL)-4A,9,10,10A-HEXAHYDRO-PHENANTHREN-3-(4H)-ONE
SpectraBase Compound ID 3ryGchfkvaB
InChI InChI=1S/C21H20O/c1-14-6-8-16(9-7-14)20-12-17(22)13-21-18-5-3-2-4-15(18)10-11-19(20)21/h2-9,12,19,21H,10-11,13H2,1H3/t19-,21+/m0/s1
InChIKey FQTLABBZNAJMNW-PZJWPPBQSA-N
Mol Weight 288.39 g/mol
Molecular Formula C21H20O
Exact Mass 288.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xnyQngjWz9
Name 1-(4-METHYLPHENYL)-4A,9,10,10A-HEXAHYDRO-PHENANTHREN-3-(4H)-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O
InChI InChI=1S/C21H20O/c1-14-6-8-16(9-7-14)20-12-17(22)13-21-18-5-3-2-4-15(18)10-11-19(20)21/h2-9,12,19,21H,10-11,13H2,1H3/t19-,21+/m0/s1
InChIKey FQTLABBZNAJMNW-PZJWPPBQSA-N
Literature Reference Author G.DYKER,P.GRUNDT,H.MARKWITZ,G.HENKEL
Literature Reference Citation J.ORG.CHEM.,63,6043(1998)
Literature Reference DOI 10.1021/jo9803535
Molecular Weight 288.389 g/mol
Sample ID 28804
Solvent CDCl3