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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+)-(1'R,3'S,6'S)-1-(2',2',3',6'-TETRAMETHYLCYCLOHEXYL)-HEXAN-3-ONE
SpectraBase Compound ID H1VUTz0HnV7
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+/m0/s1
InChIKey HORPOZYSFNIYEM-KCQAQPDRSA-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 FN4tR2Daxm2
Name 1-[(1R,3S,6S)-2,2,3,6-tetramethylcyclohexyl]-3-hexanone
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+/m0/s1
InChIKey HORPOZYSFNIYEM-KCQAQPDRSA-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 splash10-0006-9100000000-de719850a424b6fc36cc
Source of Spectrum H-76-2086-22
Synonyms 1-[(1R,3S,6S)-2,2,3,6-tetramethylcyclohexyl]hexan-3-one
Wiley ID 1241487