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3-Hexylcyclohexan-1-one
SpectraBase Compound ID BKg9MLOgTMS
InChI InChI=1S/C12H22O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h11H,2-10H2,1H3
InChIKey ADCQSWBYEZGBTF-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KScIZPbDINB
Name 3-Hexylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h11H,2-10H2,1H3
InChIKey ADCQSWBYEZGBTF-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C1(=O)CC(CCCCCC)CCC1
SPLASH splash10-0a4i-9100000000-a30f729cbfaa0e187d73
Source of Spectrum F-50-1947-28
Synonyms 3-Hexylcyclohexanone
Wiley ID 1179244