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Tricyclo[3.3.1.13,7]decanone, 4-bromo-10-hydroxy-, (1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.,10S*)-
SpectraBase Compound ID 8yJxUdSeA3i
InChI InChI=1S/C10H13BrO2/c11-8-4-1-5-3-6(2-4)10(13)7(8)9(5)12/h4-9,12H,1-3H2/t4-,5-,6-,7+,8-,9-/m0/s1
InChIKey YTEIXRYDQYWYPV-INGFRUDASA-N
Mol Weight 245.12 g/mol
Molecular Formula C10H13BrO2
Exact Mass 244.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IG9i9cmYRw
Name Tricyclo[3.3.1.13,7]decanone, 4-bromo-10-hydroxy-, (1.alpha.,3.beta.,4.alpha.,5.alpha.,7.beta.,10S*)-
Alternate Name(s) (1R,3R,4S,5S,7R,10S)-4-bromo-10-hydroxytricyclo[3.3.1.1(3,7)]decan-2-one
CAS Registry Number 99232-56-1
Comments Removed - expert review: contamination (chloroform))
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Formula C10H13BrO2
InChI InChI=1S/C10H13BrO2/c11-8-4-1-5-3-6(2-4)10(13)7(8)9(5)12/h4-9,12H,1-3H2/t4-,5-,6-,7+,8-,9-/m0/s1
InChIKey YTEIXRYDQYWYPV-INGFRUDASA-N
Molecular Weight 245.116 g/mol
SMILES O[C@@]1([C@@]2(C([C@]3([H])C[C@@]1(C[C@]([C@@]2(Br)[H])(C3)[H])[H])=O)[H])[H]
SPLASH splash10-015i-9600000000-b2dd38a3f312ab676588
Source of Spectrum J-50-5403-13
Wiley ID 1246551