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(+)-(1'R,3'S,6'S)-1-(2',2',3',6'-TETRAMETHYLCYCLOHEXYL)-PENTAN-3-ONE
SpectraBase Compound ID 9OK0YbJ2jp7
InChI InChI=1S/C15H28O/c1-6-13(16)9-10-14-11(2)7-8-12(3)15(14,4)5/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1
InChIKey ZTCAWHVKCJNTRY-SGMGOOAPSA-N
Mol Weight 224.39 g/mol
Molecular Formula C15H28O
Exact Mass 224.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IguFT4smHBN
Name (1'R,3'S,6'S)-1-(2',2',3',6'-Tetramethylcyclohexyl)pentan-3-one
Alternate Name(s) 1-[(1R,3S,6S)-2,2,3,6-tetramethylcyclohexyl]-3-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O
InChI InChI=1S/C15H28O/c1-6-13(16)9-10-14-11(2)7-8-12(3)15(14,4)5/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1
InChIKey ZTCAWHVKCJNTRY-SGMGOOAPSA-N
Molecular Weight 224.388 g/mol
SMILES C1([C@](CCC(=O)CC)([C@@](C)(CC[C@@]1(C)[H])[H])[H])(C)C
SPLASH splash10-0a4i-9300000000-ef2c1da35214bbe91fe1
Source of Spectrum H-76-2086-22
Wiley ID 1225949