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(1S,2S,5R)-2-(3-Phenylpropyl)-bicyclo[3.2.1]octan-3-one
SpectraBase Compound ID 9ToC0Al2UpY
InChI InChI=1S/C17H22O/c18-17-12-14-9-10-15(11-14)16(17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2/t14-,15-,16+/m1/s1
InChIKey OGLOSNXREYIHES-OAGGEKHMSA-N
Mol Weight 242.36 g/mol
Molecular Formula C17H22O
Exact Mass 242.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uKCT4TPrdc
Name (1S,2S,5R)-2-(3-Phenylpropyl)-bicyclo[3.2.1]octan-3-one
Alternate Name(s) (1S,2R,5R)-2-(3-phenylpropyl)bicyclo[3.2.1]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O
InChI InChI=1S/C17H22O/c18-17-12-14-9-10-15(11-14)16(17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2/t14-,15-,16+/m1/s1
InChIKey OGLOSNXREYIHES-OAGGEKHMSA-N
Literature Reference DOI 10.1002/ajoc.201200038
Molecular Weight 242.362 g/mol
SMILES [C@@]12([H])C[C@@](CC([C@]1(CCCc1ccccc1)[H])=O)([H])CC2
SPLASH splash10-006x-2950000000-6aa5cfbaa44076196cca
Source of Spectrum AJO-1-30/SM39-(+)_13da
Wiley ID 1769863