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1-bromo-3,5-dimethoxy-4-methyl-2-(phenoxymethyl)benzene
SpectraBase Compound ID 8ODodtJgqVw
InChI InChI=1S/C16H17BrO3/c1-11-15(18-2)9-14(17)13(16(11)19-3)10-20-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKey XRZORXBIDWLVHU-UHFFFAOYSA-N
Mol Weight 337.21 g/mol
Molecular Formula C16H17BrO3
Exact Mass 336.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fbAZRg3f9Q
Name 1-bromo-3,5-dimethoxy-4-methyl-2-(phenoxymethyl)benzene
Appearance White solid
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Exact Mass 336.036107404 u
Formula C16H17BrO3
InChI InChI=1S/C16H17BrO3/c1-11-15(18-2)9-14(17)13(16(11)19-3)10-20-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKey XRZORXBIDWLVHU-UHFFFAOYSA-N
Instrument Name Thermo Scientific Orbitrap Fusion system
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701895
Molecular Weight 337.213 g/mol
Quality 133
Reported Formula C16H17O3Br
SMILES C1(=C(C(=CC(=C1C)OC)Br)COC1=CC=CC=C1)OC
SPLASH splash10-0002-1190000000-0973b86791526a863a73
Source of Spectrum ACI-56-SM21-S14 (DOI: 10.1002/anie.201701895)
Thin-Layer Chromatography 0.48 (EtOAc/n-hexane, 1:8)
Wiley ID 1895873