Tricyclo[3.3.1.13,7]decanone, 4-(1,1-dimethylethyl)-, [1S-(1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.)]-

SpectraBase Compound ID	7E2SpavEeqQ
InChI	InChI=1S/C14H22O/c1-14(2,3)12-9-4-8-5-10(7-9)13(15)11(12)6-8/h8-12H,4-7H2,1-3H3/t8?,9-,10+,11-,12-/m1/s1
InChIKey	KPUXFIDKECPHTH-UPUXHGCUSA-N Google Search
Mol Weight	206.33 g/mol
Molecular Formula	C14H22O
Exact Mass	206.167065 g/mol

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SpectraBase Spectrum ID	KE7EEt38Sy8
Name	Tricyclo[3.3.1.13,7]decanone, 4-(1,1-dimethylethyl)-, [1S-(1.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.)]-
Alternate Name(s)	(+)-(1S,3R)-4(R)(E)-tert-Butyladamantan-2-one (1R,3R,4R)-4-tert-butyltricyclo[3.3.1.1(3,7)]decan-2-one
CAS Registry Number	96038-22-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H22O
InChI	InChI=1S/C14H22O/c1-14(2,3)12-9-4-8-5-10(7-9)13(15)11(12)6-8/h8-12H,4-7H2,1-3H3/t8?,9-,10+,11-,12-/m1/s1
InChIKey	KPUXFIDKECPHTH-UPUXHGCUSA-N
Molecular Weight	206.329 g/mol
SMILES	[C@@]12(C([C@@]3([H])CC(C2)C[C@@]([C@]1(C(C)(C)C)[H])(C3)[H])=O)[H]
SPLASH	splash10-00dj-0910000000-d9957bf1e276fd306fbb
Source of Spectrum	C-108-4496-8
Wiley ID	1205159