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(E)-(1R,2R,3R,5S)-Isopinocampheyl hex-1-enyl ketone
SpectraBase Compound ID 8MRmVDDzmco
InChI InChI=1S/C17H28O/c1-5-6-7-8-9-16(18)14-10-13-11-15(12(14)2)17(13,3)4/h8-9,12-15H,5-7,10-11H2,1-4H3/b9-8+/t12-,13+,14+,15+/m0/s1
InChIKey SZLYGCJKZLYIIE-HLQVTTOPSA-N
Mol Weight 248.41 g/mol
Molecular Formula C17H28O
Exact Mass 248.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cz3y3P2ud3
Name (E)-(1R,2R,3R,5S)-Isopinocampheyl hex-1-enyl ketone
Alternate Name(s) (2E)-1-[(1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-2-hepten-1-one
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Formula C17H28O
InChI InChI=1S/C17H28O/c1-5-6-7-8-9-16(18)14-10-13-11-15(12(14)2)17(13,3)4/h8-9,12-15H,5-7,10-11H2,1-4H3/b9-8+/t12-,13+,14+,15+/m0/s1
InChIKey SZLYGCJKZLYIIE-HLQVTTOPSA-N
Molecular Weight 248.410 g/mol
SMILES [C@@]12(C(C)(C)[C@@](C2)(C[C@]([C@@]1(C)[H])(C(\C=C\CCCC)=O)[H])[H])[H]
SPLASH splash10-0a4i-9400000000-b1c41e0a9b93e56030a8
Source of Spectrum QC-4-68-18
Wiley ID 883230