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(1S,5R)-1-tert-butyl-5-hydroxy-3-bicyclo[3.3.1]nonanone
SpectraBase Compound ID H3Mp7SCsWk2
InChI InChI=1S/C13H22O2/c1-11(2,3)12-5-4-6-13(15,9-12)8-10(14)7-12/h15H,4-9H2,1-3H3/t12-,13+/m1/s1
InChIKey GTSIKJNAJJYRNT-OLZOCXBDSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjRbZN9MycB
Name (1S,5R)-1-tert-butyl-5-hydroxy-3-bicyclo[3.3.1]nonanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-11(2,3)12-5-4-6-13(15,9-12)8-10(14)7-12/h15H,4-9H2,1-3H3/t12-,13+/m1/s1
InChIKey GTSIKJNAJJYRNT-OLZOCXBDSA-N
Molecular Weight 210.317 g/mol
SMILES O[C@@]12C[C@](C(C)(C)C)(CC(C2)=O)CCC1
SPLASH splash10-0ikc-6920000000-f0b6293eb8111f6d3d7d
Source of Spectrum J-60-6561-4
Synonyms (1S,5R)-1-tert-butyl-5-hydroxy-bicyclo[3.3.1]nonan-3-one (1S,5R)-1-tert-butyl-5-oxidanyl-bicyclo[3.3.1]nonan-3-one
Wiley ID 1209687