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3-[3-(5-iodo-2-methoxy-phenyl)-4-methoxy-phenyl]propanal
SpectraBase Compound ID 8OYpICKNZzA
InChI InChI=1S/C17H17IO3/c1-20-16-7-5-12(4-3-9-19)10-14(16)15-11-13(18)6-8-17(15)21-2/h5-11H,3-4H2,1-2H3
InChIKey WZKSDCSUKBHYMR-UHFFFAOYSA-N
Mol Weight 396.22 g/mol
Molecular Formula C17H17IO3
Exact Mass 396.022239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnKhV7LNPIC
Name 3-[3-(5-iodo-2-methoxy-phenyl)-4-methoxy-phenyl]propanal
Appearance Colorless foam
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Exact Mass 396.022239404 u
Formula C17H17IO3
InChI InChI=1S/C17H17IO3/c1-20-16-7-5-12(4-3-9-19)10-14(16)15-11-13(18)6-8-17(15)21-2/h5-11H,3-4H2,1-2H3
InChIKey WZKSDCSUKBHYMR-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601163
Molecular Weight 396.224 g/mol
Reported Formula C17H17O3I
SMILES C1(=CC(=C(C=C1)OC)C1=C(C=CC(=C1)CCC=O)OC)I
SPLASH splash10-0002-0009000000-e66c11bf92e2fabb9f78
Source of Spectrum QE-22-SM29-S21 (DOI: 10.1002/chem.201601163)
Wiley ID 1903428