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3-Cyclohexyl-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID DylvDemQJBi
InChI InChI=1S/C19H22O2/c1-12-7-8-18-15(9-12)19-16(11-21-18)14(10-17(19)20)13-5-3-2-4-6-13/h7-9,13-14H,2-6,10-11H2,1H3
InChIKey MJBGFAILQYYWLM-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Fj4veXwV5h
Name 3-Cyclohexyl-8-methyl-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.161979946 u
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-12-7-8-18-15(9-12)19-16(11-21-18)14(10-17(19)20)13-5-3-2-4-6-13/h7-9,13-14H,2-6,10-11H2,1H3
InChIKey MJBGFAILQYYWLM-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Quality 107
Reported Formula C19H22O2
SMILES C12=C(C3=C(CO2)C(CC3=O)C2CCCCC2)C=C(C=C1)C
SPLASH splash10-053r-3090000000-5110fa524f85234e1db0
Source of Spectrum ACI-61-SM26-2u (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.47 (hexane/EtOAc, 5:1)
Wiley ID 1897934