[3]Staffane-3-carboxylic acid

SpectraBase Compound ID	LEVoHLpUkN8
InChI	InChI=1S/C16H20O2/c17-11(18)12-4-14(5-12,6-12)16-7-15(8-16,9-16)13-1-10(2-13)3-13/h10H,1-9H2,(H,17,18)
InChIKey	XHXRGFCKFBDTQA-UHFFFAOYSA-N Google Search
Mol Weight	244.33 g/mol
Molecular Formula	C16H20O2
Exact Mass	244.14633 g/mol

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SpectraBase Spectrum ID	KYbTFoSaE7l
Name	[3]Staffane-3-carboxylic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H20O2
InChI	InChI=1S/C16H20O2/c17-11(18)12-4-14(5-12,6-12)16-7-15(8-16,9-16)13-1-10(2-13)3-13/h10H,1-9H2,(H,17,18)
InChIKey	XHXRGFCKFBDTQA-UHFFFAOYSA-N
Molecular Weight	244.334 g/mol
SMILES	OC(C12CC(C34CC(C4)(C45CC(C5)C4)C3)(C2)C1)=O
SPLASH	splash10-016u-9900000000-34b882d1cf2bb03827b3
Source of Spectrum	C-114-613-3
Synonyms	3-(3-{bicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentan-1-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
Wiley ID	1247481