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(E)-3-Iodo-2-methylallyl acetate
SpectraBase Compound ID 9CyeZXmEI6f
InChI InChI=1S/C6H9IO2/c1-5(3-7)4-9-6(2)8/h3H,4H2,1-2H3/b5-3+
InChIKey PUUIKHONVHXIQW-HWKANZROSA-N
Mol Weight 240.04 g/mol
Molecular Formula C6H9IO2
Exact Mass 239.964725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErsZxoROeyF
Name (E)-3-Iodo-2-methylallyl acetate
Appearance Light yellow oil
Carrier Gas Hydrogen (1.7 ml/min, 1.2 bar)
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Exact Mass 239.964724528 u
Formula C6H9IO2
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C6H9IO2/c1-5(3-7)4-9-6(2)8/h3H,4H2,1-2H3/b5-3+
InChIKey PUUIKHONVHXIQW-HWKANZROSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202101863
Molecular Weight 240.040 g/mol
Quality 206
SMILES C(\C(=C\I)C)OC(C)=O
SPLASH splash10-0006-9400000000-9073815fd8e4c664c302
Source of Spectrum QE-27-SM15-12 (DOI: 10.1002/chem.202101863)
Thin-Layer Chromatography 0.25 (CyHex/EtOAc, 20:1)
Wiley ID 1902155