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3-Hexanone, 1-(2,2,3,6-tetramethylcyclohexyl)-, (1.alpha.,3.beta.,6.beta.)-
SpectraBase Compound ID 8U7zUdXWINA
InChI InChI=1S/C16H30O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h12-13,15H,6-11H2,1-5H3/t12-,13+,15+/m1/s1
InChIKey HORPOZYSFNIYEM-IPYPFGDCSA-N
Mol Weight 238.41 g/mol
Molecular Formula C16H30O
Exact Mass 238.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O4fZwyBgfn
Name 3-Hexanone, 1-(2,2,3,6-tetramethylcyclohexyl)-, (1.alpha.,3.beta.,6.beta.)-
CAS Registry Number 106201-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O
InChI InChI=1S/C16H30O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h12-13,15H,6-11H2,1-5H3/t12-,13+,15+/m1/s1
InChIKey HORPOZYSFNIYEM-IPYPFGDCSA-N
Molecular Weight 238.415 g/mol
SMILES C1([C@@](CCC(=O)CCC)([C@](C)(CC[C@@]1(C)[H])[H])[H])(C)C
SPLASH splash10-00ea-9600000000-b2d366baaa7971a2dc51
Source of Spectrum H-68-1978-52
Synonyms 1-(2,2,t-3,t-6-tetramethyl-r-1-cyclohexyl)-3-hexanone 1-(2,2,c-3,t-6-tetramethyl-r-1-cyclohexyl)-3-hexanone 1-[(1S,3S,6R)-2,2,3,6-tetramethylcyclohexyl]-3-hexanone
Wiley ID 1241472