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2-Oxo-16-(3',4'-methylenedioxyphenyl)hexadecane
SpectraBase Compound ID 2a6SCjL8t84
InChI InChI=1S/C23H36O3/c1-20(24)14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-16-17-22-23(18-21)26-19-25-22/h16-18H,2-15,19H2,1H3
InChIKey OHKYJRJHRQFHDW-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Bell1pgjQ
Name 2-Oxo-16-(3',4'-methylenedioxyphenyl)hexadecane
Appearance crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-20(24)14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-16-17-22-23(18-21)26-19-25-22/h16-18H,2-15,19H2,1H3
InChIKey OHKYJRJHRQFHDW-UHFFFAOYSA-N
Instrument Name JEOL SX 102
Ionization Type EI
Literature Reference DOI 10.1021/np0401260
Molecular Weight 360.538 g/mol
Reported Formula C23H36O3
SMILES c12ccc(cc2OCO1)CCCCCCCCCCCCCCC(C)=O
SPLASH splash10-03dr-0709000000-fc2de21f61562b1eeb13
Source of Spectrum G4-67-1966-3
Wiley ID 1881612