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(-)-(1S,3R)-4(S)(a)-(3,3-Dimethylbutyl)adamantan-2-one
SpectraBase Compound ID EsLgeCdY4dk
InChI InChI=1S/C16H26O/c1-16(2,3)5-4-13-11-6-10-7-12(9-11)15(17)14(13)8-10/h10-14H,4-9H2,1-3H3/t10-,11+,12-,13+,14+/m1/s1
InChIKey OXUGNZBHFFLZRF-BJJPWKGXSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCJ7WWjB0cb
Name (-)-(1S,3R)-4(S)(a)-(3,3-Dimethylbutyl)adamantan-2-one
Alternate Name(s) (1S,3R,4S)-4-(3,3-dimethylbutyl)tricyclo[3.3.1.1(3,7)]decan-2-one
CAS Registry Number 103258-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O
InChI InChI=1S/C16H26O/c1-16(2,3)5-4-13-11-6-10-7-12(9-11)15(17)14(13)8-10/h10-14H,4-9H2,1-3H3/t10-,11+,12-,13+,14+/m1/s1
InChIKey OXUGNZBHFFLZRF-BJJPWKGXSA-N
Molecular Weight 234.383 g/mol
SMILES [C@]12(C([C@]3([H])C[C@](C2)(C[C@]([C@@]1(CCC(C)(C)C)[H])(C3)[H])[H])=O)[H]
SPLASH splash10-056r-3940000000-93581395affb1e7ab0df
Source of Spectrum C-108-4497-9
Wiley ID 1236648