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5-Hexyl-3-methylcyclohepta-2,4-dienone
SpectraBase Compound ID EfSUadBABMd
InChI InChI=1S/C14H22O/c1-3-4-5-6-7-13-8-9-14(15)11-12(2)10-13/h10-11H,3-9H2,1-2H3
InChIKey OMRRYMHYKBJVMM-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1JsRGvx3sC
Name 5-Hexyl-3-methylcyclohepta-2,4-dienone
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-3-4-5-6-7-13-8-9-14(15)11-12(2)10-13/h10-11H,3-9H2,1-2H3
InChIKey OMRRYMHYKBJVMM-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 206.329 g/mol
Quality 266
Reported Formula C14H22O
SMILES C(CCCCC)C1=CC(=CC(CC1)=O)C
SPLASH splash10-052f-7910000000-28132820ed04fa93898a
Source of Spectrum QE-21-SM29-35l (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.26 (PE/EtOAc, 90:10)
Wiley ID 1906818