For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4viDPBGKuiM
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 splash10-0abc-9300000000-1b480e1aa2fec6aeef5f
Source of Spectrum H-68-1976-80
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 1241471