3-Acetyl-3"'-n-butyl[4]staffane

SpectraBase Compound ID	9vpfkQQOu3P
InChI	InChI=1S/C26H36O/c1-3-4-5-19-6-21(7-19,8-19)23-12-25(13-23,14-23)26-15-24(16-26,17-26)22-9-20(10-22,11-22)18(2)27/h3-17H2,1-2H3
InChIKey	OTOILCXZJHFDBD-UHFFFAOYSA-N Google Search
Mol Weight	364.6 g/mol
Molecular Formula	C26H36O
Exact Mass	364.276616 g/mol

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SpectraBase Spectrum ID	9YJvU8aWBWY
Name	3-Acetyl-3"'-n-butyl[4]staffane
Alternate Name(s)	1-{3-[3-(3-{3-butylbicyclo[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	C26H36O
InChI	InChI=1S/C26H36O/c1-3-4-5-19-6-21(7-19,8-19)23-12-25(13-23,14-23)26-15-24(16-26,17-26)22-9-20(10-22,11-22)18(2)27/h3-17H2,1-2H3
InChIKey	OTOILCXZJHFDBD-UHFFFAOYSA-N
Molecular Weight	364.573 g/mol
SMILES	C12(C34CC(C4)(C45CC(C5)(C(=O)C)C4)C3)CC(C2)(C23CC(C3)(CCCC)C2)C1
SPLASH	splash10-0006-9400000000-982dc834f85e00b9152b
Source of Spectrum	C-114-616-4
Wiley ID	1351205