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4a.beta.,8.alpha.-Dimethyl-1,2,3,4,4a,4b.beta.,5,8-octahydro-9(8a.beta.H)-phenanthrenone
SpectraBase Compound ID 6ssJ9VTlDtG
InChI InChI=1S/C16H22O/c1-11-6-5-8-13-15(11)14(17)10-12-7-3-4-9-16(12,13)2/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3/t11-,13+,15-,16-/m0/s1
InChIKey UWAFUNNOFBTRLE-YOENINGUSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFc873OOclS
Name 4A.beta.,8.alpha.-Dimethyl-1,2,3,4,4A,4B.beta.,5,8-octahydro-9(8A.beta.H)-phenanthrenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.167065327 u
Formula C16H22O
InChI InChI=1S/C16H22O/c1-11-6-5-8-13-15(11)14(17)10-12-7-3-4-9-16(12,13)2/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3/t11-,13+,15-,16-/m0/s1
InChIKey UWAFUNNOFBTRLE-YOENINGUSA-N
Molecular Weight 230.351 g/mol
SMILES [C@]12([C@]3([C@@]([C@@](C)(C=CC3)[H])([H])C(C=C1CCCC2)=O)[H])C