5,7-Dioxahexacyclo[6.5.1.0(2,11).0(3,14).0(4,10).0(9,13)]tetradecan-6-one

SpectraBase Compound ID	HhueY22eKCu
InChI	InChI=1S/C12H12O3/c13-12-14-10-6-2-1-3-5-4(2)8(10)9(5)11(15-12)7(3)6/h2-11H,1H2/t2-,3+,4+,5-,6-,7+,8+,9-,10-,11-/m0/s1
InChIKey	MHUUKLUUBVECHL-FWYIYNQFSA-N Google Search
Mol Weight	204.22 g/mol
Molecular Formula	C12H12O3
Exact Mass	204.078644 g/mol

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SpectraBase Spectrum ID	CeFI2EpU7zo
Name	5,7-Dioxahexacyclo[6.5.1.0(2,11).0(3,14).0(4,10).0(9,13)]tetradecan-6-one
Alternate Name(s)	(4R,4aS,5R,9R,10R)-octahydro-4H-4,8,5,7-(epiethane[1,1,2,2]tetrayl)pentaleno[1,6-de][1,3]dioxepin-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H12O3
InChI	InChI=1S/C12H12O3/c13-12-14-10-6-2-1-3-5-4(2)8(10)9(5)11(15-12)7(3)6/h2-11H,1H2/t2-,3+,4+,5-,6-,7+,8+,9-,10-,11-/m0/s1
InChIKey	MHUUKLUUBVECHL-FWYIYNQFSA-N
Molecular Weight	204.225 g/mol
SMILES	[C@]12([C@@]3([C@]4([C@]5([C@]6([C@@]([C@@]3([C@](OC(O1)=O)([C@]6([C@@]25[H])[H])[H])[H])(C4)[H])[H])[H])[H])[H])[H]
SPLASH	splash10-014i-9500000000-2bbf9223cfa7f8362445
Source of Spectrum	JX-2015-5-725
Wiley ID	1727485