12,12-Dibromopentacyclo[5.5.0.0(2,6).0(3,10).0(5,9)]dodec-11-one

SpectraBase Compound ID	Hs2Kd8QsQy3
InChI	InChI=1S/C12H12Br2O/c13-12(14)10-6-2-4-3-1-5(8(4)11(12)15)9(10)7(3)6/h3-10H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
InChIKey	OSBJEWDODHNMKM-SJYYZXOBSA-N Google Search
Mol Weight	332.04 g/mol
Molecular Formula	C12H12Br2O
Exact Mass	329.925491 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	2DBiQny2RGv
Name	12,12-Dibromopentacyclo[5.5.0.0(2,6).0(3,10).0(5,9)]dodec-11-one
Comments	Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C12H12Br2O - which differs from the formula reported for the mass spectrum (C12H12BrO)
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H12BrO
InChI	InChI=1S/C12H12Br2O/c13-12(14)10-6-2-4-3-1-5(8(4)11(12)15)9(10)7(3)6/h3-10H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
InChIKey	OSBJEWDODHNMKM-SJYYZXOBSA-N
Molecular Weight	332.035 g/mol
SMILES	C1(C([C@]2([C@@]3(C[C@@]4([C@]2(C[C@]2([C@@]4([C@@]3([C@@]12[H])[H])[H])[H])[H])[H])[H])[H])=O)(Br)Br
SPLASH	splash10-0udi-0090000000-91d9d099e498ed508f54
Source of Spectrum	F-54-5113-10
Wiley ID	806671