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(4aS,6S,8aR)-6-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one

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(4aS,6S,8aR)-6-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
SpectraBase Compound ID C6959TTYJgJ
InChI InChI=1S/C16H20O/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2/t13-,14-,15+/m0/s1
InChIKey LZFSWSCNLKXITN-SOUVJXGZSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Kpr8eQoO8I
Name (4as,6S,8ar)-6-Phenyl-3,4,4A,5,6,7,8,8A-octahydro-1H-naphthalen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.151415263 u
Formula C16H20O
InChI InChI=1S/C16H20O/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2/t13-,14-,15+/m0/s1
InChIKey LZFSWSCNLKXITN-SOUVJXGZSA-N
Molecular Weight 228.335 g/mol
SMILES [C@]12([C@@](CC(CC2)=O)(CC[C@@](C1)(C=1C=CC=CC1)[H])[H])[H]