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4-((1S*,3S*)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)butan-2-one
SpectraBase Compound ID F9lyonLGCOJ
InChI InChI=1S/C13H22O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h11-12,15H,1,5-8H2,2-4H3/t11-,12-/m0/s1
InChIKey HBWCPAQEOYPWMN-RYUDHWBXSA-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 459P18U56BE
Name 4-((1S*,3S*)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h11-12,15H,1,5-8H2,2-4H3/t11-,12-/m0/s1
InChIKey HBWCPAQEOYPWMN-RYUDHWBXSA-N
Literature Reference DOI 10.1021/ol062798i
Molecular Weight 210.317 g/mol
SMILES O[C@]1(CCC([C@@](C1(C)C)(CCC(C)=O)[H])=C)[H]
SPLASH splash10-0006-9400000000-826e5ad4088d18dcb1f1
Source of Spectrum A1-9-583/SMS7-8b_exo
Synonyms 4-((1S,3S)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)butan-2-one
Wiley ID 1757817