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1-Acetoxy-9-bromotricyclo[5.4.0.0(2,6)]undecan-8-one
SpectraBase Compound ID G4uEnYE79PE
InChI InChI=1S/C13H17BrO3/c1-7(15)17-13-6-5-10(14)12(16)11(13)8-3-2-4-9(8)13/h8-11H,2-6H2,1H3/t8-,9+,10-,11-,13+/m1/s1
InChIKey ZVXOINXTJJYKFW-TUTUZKQUSA-N
Mol Weight 301.18 g/mol
Molecular Formula C13H17BrO3
Exact Mass 300.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFw9RZzpPcJ
Name 1-Acetoxy-9-bromotricyclo[5.4.0.0(2,6)]undecan-8-one
Alternate Name(s) 6-Bromo-7-oxodecahydro-3bH-cyclopenta[3,4]cyclobuta[1,2-a]benzen-3b-yl acetate Acetic acid (3aS,3bS,6R,7aS,7bR)-6-bromo-7-oxo-decahydro-cyclopenta[3,4]cyclobuta[1,2]benzen-3b-yl ester
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Formula C13H17BrO3
InChI InChI=1S/C13H17BrO3/c1-7(15)17-13-6-5-10(14)12(16)11(13)8-3-2-4-9(8)13/h8-11H,2-6H2,1H3/t8-,9+,10-,11-,13+/m1/s1
InChIKey ZVXOINXTJJYKFW-TUTUZKQUSA-N
Molecular Weight 301.180 g/mol
SMILES [C@@]12([C@](C(=O)[C@@](CC2)(Br)[H])([H])[C@]2([C@@]1(CCC2)[H])[H])OC(=O)C
SPLASH splash10-0006-4910000000-304252af27f01df7fa47
Source of Spectrum AJ-66-566-7
Wiley ID 771908