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(1S,2S,4aR,8aS)-1-(phenyl)-6-oxo-1,2,3,4,4a,5,6,8a-octahydro-naphthalene-2-carbaldehyde
SpectraBase Compound ID 7ASfHOuUV2p
InChI InChI=1S/C17H18O2/c18-11-14-7-6-13-10-15(19)8-9-16(13)17(14)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,16-17H,6-7,10H2/t13-,14-,16-,17-/m1/s1
InChIKey NMESSQBVKLRFCH-MUIFIZLQSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECHWyOW33Iu
Name (1S,2S,4aR,8aS)-1-(phenyl)-6-oxo-1,2,3,4,4a,5,6,8a-octahydro-naphthalene-2-carbaldehyde
Alternate Name(s) 1,2,3,4,4a,5,6,8a-Octahydro-6-oxo-1-phenylnaphthalene-2-carbaldehyde
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Formula C17H18O2
InChI InChI=1S/C17H18O2/c18-11-14-7-6-13-10-15(19)8-9-16(13)17(14)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,16-17H,6-7,10H2/t13-,14-,16-,17-/m1/s1
InChIKey NMESSQBVKLRFCH-MUIFIZLQSA-N
Molecular Weight 254.329 g/mol
SMILES [C@@]12(C=CC(C[C@]2(CC[C@@]([C@]1(c1ccccc1)[H])(C=O)[H])[H])=O)[H]
SPLASH splash10-00di-1900000000-c1d7646e1ae25bf1215b
Source of Spectrum F5-7-3098-5a
Wiley ID 1696661