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Kneglomeratanone A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Kneglomeratanone A
SpectraBase Compound ID 4vYqkgk33tA
InChI InChI=1S/C22H28O3/c1-17(23)22-19(15-20(24)16-21(22)25)14-10-5-3-2-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-13,15-16,24-25H,2-5,7,10-11,14H2,1H3
InChIKey IMXQBUNJVMBJFG-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I7vu2dTrpn
Name Kneglomeratanone A
Alternate Name(s) 1-[2,4-bis(oxidanyl)-6-(8-phenyloctyl)phenyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-17(23)22-19(15-20(24)16-21(22)25)14-10-5-3-2-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-13,15-16,24-25H,2-5,7,10-11,14H2,1H3
InChIKey IMXQBUNJVMBJFG-UHFFFAOYSA-N
Molecular Weight 340.463 g/mol
SMILES Oc1cc(c(c(c1)O)C(=O)C)CCCCCCCCc1ccccc1
SPLASH splash10-004i-0509000000-85ba59dcd06cfdf5df57
Source of Spectrum X2-57-380-2
Wiley ID 1605383