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(+)-(1R,2R,5R,6S,7S)-2-benzyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
SpectraBase Compound ID XtY2SdzxFP
InChI InChI=1S/C17H18O2/c1-11-15-13-7-8-14(9-13)17(15,16(18)19-11)10-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13-,14+,15+,17-/m1/s1
InChIKey RVVNKRWADBUKQH-DOFKHENGSA-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 DfwutYWC3zc
Name (+)-(1R,2R,5R,6S,7S)-2-benzyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
Alternate Name(s) (1R,2R,5R,6S,7S)-2-benzyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
CAS Registry Number 115181-94-7
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821416
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Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-11-15-13-7-8-14(9-13)17(15,16(18)19-11)10-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13-,14+,15+,17-/m1/s1
InChIKey RVVNKRWADBUKQH-DOFKHENGSA-N
Molecular Weight 254.329 g/mol
SMILES [C@]12(C(O[C@@]([C@]2([C@@]2(C=C[C@]1(C2)[H])[H])[H])(C)[H])=O)Cc1ccccc1
SPLASH splash10-015l-9400000000-66d10ee2770d93b87b83
Source of Spectrum J-53-4395-11
Wiley ID 1258250