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

SpectraBase Compound ID	3vSLikX4jRV
InChI	InChI=1S/C12H13BrO/c13-11-10-5-2-4-3-1-6(8(4)12(11)14)9(10)7(3)5/h3-11H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11?/m0/s1
InChIKey	AZXDYAWTAMNQPP-WFSCVGMNSA-N Google Search
Mol Weight	253.14 g/mol
Molecular Formula	C12H13BrO
Exact Mass	252.014978 g/mol

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SpectraBase Spectrum ID	FA58t2VRLOF
Name	12-Bromopentacyclo[5.5.0.0(2,6).0(3,10).0(5,9)]dodecan-11-one
Comments	Edited after expert review for air contamination - Original record with SpectrumID 806674 moved to the Legacy library
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H13BrO
InChI	InChI=1S/C12H13BrO/c13-11-10-5-2-4-3-1-6(8(4)12(11)14)9(10)7(3)5/h3-11H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11?/m0/s1
InChIKey	AZXDYAWTAMNQPP-WFSCVGMNSA-N
Molecular Weight	253.139 g/mol
SMILES	[C@@]12(C(C(Br)[C@]3([C@]4([C@@]2(C[C@@]2([C@]4([C@]3(C[C@]12[H])[H])[H])[H])[H])[H])[H])=O)[H]
SPLASH	splash10-05dj-3900000000-9779ba250f36dfe858cb
Source of Spectrum	F-54-5111-6
Wiley ID	1820798