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3-Acetyl-3"-n-butyl[3]staffane
SpectraBase Compound ID KciXUpjyUeX
InChI InChI=1S/C21H30O/c1-3-4-5-16-6-18(7-16,8-16)20-12-21(13-20,14-20)19-9-17(10-19,11-19)15(2)22/h3-14H2,1-2H3
InChIKey SZMUXECXRRTHCK-UHFFFAOYSA-N
Mol Weight 298.47 g/mol
Molecular Formula C21H30O
Exact Mass 298.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMT0Tq9K8D1
Name 3-Acetyl-3"-n-butyl[3]staffane
Alternate Name(s) 1-[3-(3-{3-butylbicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentan-1-yl)bicyclo[1.1.1]pentan-1-yl]ethan-1-one
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Formula C21H30O
InChI InChI=1S/C21H30O/c1-3-4-5-16-6-18(7-16,8-16)20-12-21(13-20,14-20)19-9-17(10-19,11-19)15(2)22/h3-14H2,1-2H3
InChIKey SZMUXECXRRTHCK-UHFFFAOYSA-N
Molecular Weight 298.470 g/mol
SMILES C12(C34CC(C4)(C(=O)C)C3)CC(C1)(C13CC(C3)(CCCC)C1)C2
SPLASH splash10-0006-9600000000-dc41176ae50eb4995e90
Source of Spectrum C-114-616-3
Wiley ID 1301620