3-Acetyl-3"'-phenyl[4]staffane

SpectraBase Compound ID	BX4prNdxqP6
InChI	InChI=1S/C28H32O/c1-19(29)21-7-23(8-21,9-21)25-13-27(14-25,15-25)28-16-26(17-28,18-28)24-10-22(11-24,12-24)20-5-3-2-4-6-20/h2-6H,7-18H2,1H3
InChIKey	GMNUJSRLNTYRBK-UHFFFAOYSA-N Google Search
Mol Weight	384.6 g/mol
Molecular Formula	C28H32O
Exact Mass	384.245316 g/mol

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SpectraBase Spectrum ID	6xh2Bp4M5cl
Name	3-Acetyl-3"'-phenyl[4]staffane
Alternate Name(s)	1-{3-[3-(3-{3-phenylbicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentan-1-yl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentan-1-yl}ethan-1-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H32O
InChI	InChI=1S/C28H32O/c1-19(29)21-7-23(8-21,9-21)25-13-27(14-25,15-25)28-16-26(17-28,18-28)24-10-22(11-24,12-24)20-5-3-2-4-6-20/h2-6H,7-18H2,1H3
InChIKey	GMNUJSRLNTYRBK-UHFFFAOYSA-N
Molecular Weight	384.563 g/mol
SMILES	C12(C34CC(C4)(C(=O)C)C3)CC(C1)(C13CC(C3)(C34CC(C4)(c4ccccc4)C3)C1)C2
SPLASH	splash10-00lv-4900000000-39ee57a99ab35567d35e
Source of Spectrum	C-114-617-4
Wiley ID	1362020