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(+)-(1'R,6'S)-4-(2',2',6'-TRIMETHYLCYCLOHEXYL)-BUTAN-2-ONE
SpectraBase Compound ID 2TOnfp0OEZS
InChI InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3/t10-,12+/m0/s1
InChIKey PQCDGQHNORPNBR-CMPLNLGQSA-N
Mol Weight 196.33 g/mol
Molecular Formula C13H24O
Exact Mass 196.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnxjkMiwxqN
Name (1'R,6'S)-4-(2',2',6'-Trimethylcyclohexyl)butan-2-one
CAS Registry Number 64666-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O
InChI InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3/t10-,12+/m0/s1
InChIKey PQCDGQHNORPNBR-CMPLNLGQSA-N
Molecular Weight 196.334 g/mol
SMILES [C@]1(C(CCC[C@@]1(C)[H])(C)C)(CCC(=O)C)[H]
SPLASH splash10-067m-9200000000-deacd3bdf5fa17dfa636
Source of Spectrum H-76-2085-22
Synonyms 2,3,.alpha.,.beta.-Tetrahydroionone 2-Butanone, 4-(2,2,6-trimethylcyclohexyl)-, trans- 4-[(1R,6S)-2,2,6-trimethylcyclohexyl]-2-butanone trans-Tetrahydroionone
Wiley ID 1193979