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1-[3-(5-iodo-2-methoxy-phenyl)-4-methoxy-phenyl]hex-4-yn-3-ol
SpectraBase Compound ID GaRparnzXYB
InChI InChI=1S/C20H21IO3/c1-4-5-16(22)9-6-14-7-10-19(23-2)17(12-14)18-13-15(21)8-11-20(18)24-3/h7-8,10-13,16,22H,6,9H2,1-3H3
InChIKey XLHSOJHEUSXXPX-UHFFFAOYSA-N
Mol Weight 436.29 g/mol
Molecular Formula C20H21IO3
Exact Mass 436.05354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F59tdzORqQO
Name 1-[3-(5-iodo-2-methoxy-phenyl)-4-methoxy-phenyl]hex-4-yn-3-ol
Appearance Colorless foam
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Exact Mass 436.053539533 u
Formula C20H21IO3
InChI InChI=1S/C20H21IO3/c1-4-5-16(22)9-6-14-7-10-19(23-2)17(12-14)18-13-15(21)8-11-20(18)24-3/h7-8,10-13,16,22H,6,9H2,1-3H3
InChIKey XLHSOJHEUSXXPX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601163
Molecular Weight 436.289 g/mol
Reported Formula C20H21O3I
SMILES OC(CCC=1C=CC(=C(C=2C=C(C=CC2OC)I)C1)OC)C#CC
SPLASH splash10-000i-0004900000-3b1745b885910573f6dd
Source of Spectrum QE-22-SM29-50 (DOI: 10.1002/chem.201601163)
Wiley ID 1903418