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5-[(1S,2S,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl]-1-phenyl-1-pentanone
SpectraBase Compound ID D2D2bOWZse
InChI InChI=1S/C20H28O/c1-20(2)17-13-12-15(18(20)14-17)8-6-7-11-19(21)16-9-4-3-5-10-16/h3-5,9-10,15,17-18H,6-8,11-14H2,1-2H3/t15-,17-,18-/m0/s1
InChIKey TZDLTSQQRNMGNQ-SZMVWBNQSA-N
Mol Weight 284.44 g/mol
Molecular Formula C20H28O
Exact Mass 284.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ieee5tNk9J
Name 5-[(1S,2S,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl]-1-phenyl-1-pentanone
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Formula C20H28O
InChI InChI=1S/C20H28O/c1-20(2)17-13-12-15(18(20)14-17)8-6-7-11-19(21)16-9-4-3-5-10-16/h3-5,9-10,15,17-18H,6-8,11-14H2,1-2H3/t15-,17-,18-/m0/s1
InChIKey TZDLTSQQRNMGNQ-SZMVWBNQSA-N
Molecular Weight 284.443 g/mol
SMILES C1([C@@]2([C@@](CCCCC(=O)c3ccccc3)(CC[C@]1(C2)[H])[H])[H])(C)C
SPLASH splash10-0a4i-0900000000-c33762f2884a85ba9930
Source of Spectrum J-64-3553-27
Wiley ID 1530130