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(2R,5S)-5-ethyl-2,4,4-trimethylcyclohexan-1-one
SpectraBase Compound ID 7rT5uCqNUbT
InChI InChI=1S/C11H20O/c1-5-9-6-10(12)8(2)7-11(9,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKey LJCJKUVIDKWUPR-BDAKNGLRSA-N
Mol Weight 168.28 g/mol
Molecular Formula C11H20O
Exact Mass 168.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3siyukqaSVP
Name (2R,5S)-5-ethyl-2,4,4-trimethylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O
InChI InChI=1S/C11H20O/c1-5-9-6-10(12)8(2)7-11(9,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKey LJCJKUVIDKWUPR-BDAKNGLRSA-N
Molecular Weight 168.280 g/mol
SMILES C1(C[C@@](C)(C(C[C@@]1(CC)[H])=O)[H])(C)C
SPLASH splash10-00lr-9200000000-4552c4e917c29c3e18b6
Source of Spectrum H-76-541-6
Synonyms (2R,5S)-5-ethyl-2,4,4-trimethylcyclohexanone
Wiley ID 1165293