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Cyclohexenone
SpectraBase Compound ID KdlH97lenae
InChI InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey FWFSEYBSWVRWGL-UHFFFAOYSA-N
Mol Weight 96.13 g/mol
Molecular Formula C6H8O
Exact Mass 96.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E075G7gif0v
Name Cyclohexen-1-one <2->
CAS Registry Number 930-68-7
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 96.057514877 u
Formula C6H8O
InChI InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey FWFSEYBSWVRWGL-UHFFFAOYSA-N
Molecular Weight 96.129 g/mol
Number of Peaks 50
RI1 931
RI2 610
RI3 835
RI4 790
SMILES C1(=O)CCCC=C1
SPLASH splash10-014i-9000000000-7485ef23344cfccc699d
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Cyclohexen-1-one
Wiley ID LM_FFNSC3_1999