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(+)-(1'R,6'S)-1-(2',2',6'-TRIMETHYLCYCLOHEXYL)-HEXAN-3-ONE

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(+)-(1'R,6'S)-1-(2',2',6'-TRIMETHYLCYCLOHEXYL)-HEXAN-3-ONE
SpectraBase Compound ID 13uvThElnrL
InChI InChI=1S/C15H28O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h12,14H,5-11H2,1-4H3/t12-,14+/m0/s1
InChIKey QZEIOMQXEKBVLQ-GXTWGEPZSA-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 C6gEvZG90bG
Name 1-[(1R,6S)-2,2,6-trimethylcyclohexyl]-3-hexanone
CAS Registry Number 106201-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O
InChI InChI=1S/C15H28O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h12,14H,5-11H2,1-4H3/t12-,14+/m0/s1
InChIKey QZEIOMQXEKBVLQ-GXTWGEPZSA-N
Molecular Weight 224.388 g/mol
SMILES [C@]1(C(CCC[C@@]1(C)[H])(C)C)(CCC(=O)CCC)[H]
SPLASH splash10-0006-9100000000-fddf8e50aeec3fc8df10
Source of Spectrum H-68-1970-0
Wiley ID 1225934