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Methyl 2-(2-bromo-5-iodophenyl)acetate
SpectraBase Compound ID DdOqeIdLPTH
InChI InChI=1S/C9H8BrIO2/c1-13-9(12)5-6-4-7(11)2-3-8(6)10/h2-4H,5H2,1H3
InChIKey DBQWBOJSPDNWBH-UHFFFAOYSA-N
Mol Weight 354.97 g/mol
Molecular Formula C9H8BrIO2
Exact Mass 353.875237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ra0DKlIMv2
Name Methyl 2-(2-bromo-5-iodophenyl)acetate
Appearance Colorless solid
Carrier Gas Helium
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Exact Mass 353.875237496 u
Formula C9H8BrIO2
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H8BrIO2/c1-13-9(12)5-6-4-7(11)2-3-8(6)10/h2-4H,5H2,1H3
InChIKey DBQWBOJSPDNWBH-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101279
Molecular Weight 354.969 g/mol
Quality 36
SMILES COC(CC1=C(C=CC(=C1)I)Br)=O
SPLASH splash10-004i-1091000000-c6fa7ce72d2b50b74339
Source of Spectrum K1-2022-SM10-13 (DOI: 10.1002/ejoc.202101279)
Thin-Layer Chromatography 0.32 (cyclohexane/EtOAc, 20:1)
Wiley ID 1898556