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2-(1-(4-Iodophenyl)ethyl)-1,3,5-trimethoxybenzene
SpectraBase Compound ID JjKQaKjeydH
InChI InChI=1S/C17H19IO3/c1-11(12-5-7-13(18)8-6-12)17-15(20-3)9-14(19-2)10-16(17)21-4/h5-11H,1-4H3
InChIKey GVQSERGKSVAJQI-UHFFFAOYSA-N
Mol Weight 398.24 g/mol
Molecular Formula C17H19IO3
Exact Mass 398.037889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2pkNZCrdSa
Name 2-(1-(4-Iodophenyl)ethyl)-1,3,5-trimethoxybenzene
Appearance Colorless oil
Carrier Gas Hydrogen
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Exact Mass 398.037889469 u
Formula C17H19IO3
InChI InChI=1S/C17H19IO3/c1-11(12-5-7-13(18)8-6-12)17-15(20-3)9-14(19-2)10-16(17)21-4/h5-11H,1-4H3
InChIKey GVQSERGKSVAJQI-UHFFFAOYSA-N
Instrument Name Agilent 7820A-7820A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900965
Molecular Weight 398.240 g/mol
Quality 160
Reported Formula C17H19O3I
SMILES C1(I)=CC=C(C=C1)C(C)C1=C(C=C(C=C1OC)OC)OC
SPLASH splash10-0ab9-2194000000-6b65aba25b7d64e2a901
Source of Spectrum K1-2019-SM64-9e (DOI: 10.1002/ejoc.201900965)
Thin-Layer Chromatography 0.31 (Cyclohexane/Ethyl acetate, 97.5:2.5)
Wiley ID 1892142