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(2S,8S)-2-(tert-Butoxy)-1-methyl-8-hydroxybicyclo[2.2.2]octan-5-one
SpectraBase Compound ID 9pje15O8nNs
InChI InChI=1S/C13H22O3/c1-12(2,3)16-11-5-8-9(14)6-13(11,4)7-10(8)15/h8-9,11,14H,5-7H2,1-4H3/t8-,9+,11+,13+/m1/s1
InChIKey CNQUCAYKVCHXNV-KOVQTIFSSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iv3FAZpNvZW
Name (2S,8S)-2-(tert-Butoxy)-1-methyl-8-hydroxybicyclo[2.2.2]octan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-12(2,3)16-11-5-8-9(14)6-13(11,4)7-10(8)15/h8-9,11,14H,5-7H2,1-4H3/t8-,9+,11+,13+/m1/s1
InChIKey CNQUCAYKVCHXNV-KOVQTIFSSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1([C@@]2(C(C[C@@]([C@](C2)(OC(C)(C)C)[H])(C1)C)=O)[H])[H]
SPLASH splash10-0a4i-9310000000-d93517b6623e0b75437b
Source of Spectrum F-52-12455-21
Synonyms (5S,7S)-5-tert-Butoxy-7.beta.-hydroxy-4-methylbicyclo[2.2.2]octan-2-one (5S,7S)-5-tert-butoxy-7-hydroxy-4-methylbicyclo[2.2.2]octan-2-one 2-(tert-Butoxy)-1-methyl-8-hydroxybicyclo[2.2.2]octan-5-one 5-tert-Butoxy-7.beta.-hydroxy-4-methylbicyclo[2.2.2]octan-2-one
Wiley ID 798963