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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
Mol Weight 364.6 g/mol
Molecular Formula C26H36O
Exact Mass 364.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YJvU8aWBWY
Name 3-Acetyl-3"'-n-butyl[4]staffane
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
Synonyms 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
Wiley ID 1351205