2,3,5,6-tetramethylene-8-bicyclo[2.2.2]octanone

SpectraBase Compound ID	JX9Ri8tE25r
InChI	InChI=1S/C12H12O/c1-6-8(3)12-9(4)7(2)10(6)5-11(12)13/h10,12H,1-5H2/t10-,12+
InChIKey	LUIBZNQWIUUZHF-KLPPZKSPSA-N Google Search
Mol Weight	172.23 g/mol
Molecular Formula	C12H12O
Exact Mass	172.088815 g/mol

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SpectraBase Spectrum ID	61vW4YDqfMs
Name	2,3,5,6-tetramethylene-8-bicyclo[2.2.2]octanone
Alternate Name(s)	2,3,5,6-tetramethylenebicyclo[2.2.2]octan-8-one 2,3,5,6-tetramethylidenebicyclo[2.2.2]octan-8-one
CAS Registry Number	87119-36-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H12O
InChI	InChI=1S/C12H12O/c1-6-8(3)12-9(4)7(2)10(6)5-11(12)13/h10,12H,1-5H2/t10-,12+
InChIKey	LUIBZNQWIUUZHF-KLPPZKSPSA-N
Molecular Weight	172.227 g/mol
SMILES	C1(C([C@]2(C(C([C@@]1(C(C2)=O)[H])=C)=C)[H])=C)=C
SPLASH	splash10-004i-1900000000-ed5e2d2edb5d913d4ba2
Source of Spectrum	H-66-1143-0
Wiley ID	1169422