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1-[2,4-bis(iodanyl)-1-(4-methylphenyl)but-1-enyl]-4-methyl-benzene
SpectraBase Compound ID 6CDhcJcDrO8
InChI InChI=1S/C18H18I2/c1-13-3-7-15(8-4-13)18(17(20)11-12-19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey DBWAOEYFUBMRKP-UHFFFAOYSA-N
Mol Weight 488.15 g/mol
Molecular Formula C18H18I2
Exact Mass 487.949791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Bx1xBBweoU
Name 1-[2,4-bis(iodanyl)-1-(4-methylphenyl)but-1-enyl]-4-methyl-benzene
Alternate Name(s) 1-[2,4-diiodo-1-(4-methylphenyl)but-1-enyl]-4-methylbenzene 1-[2,4-diiodo-1-(p-tolyl)but-1-enyl]-4-methyl-benzene
Comments Less than 3 mono-isotopic peaks
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Formula C18H18I2
InChI InChI=1S/C18H18I2/c1-13-3-7-15(8-4-13)18(17(20)11-12-19)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey DBWAOEYFUBMRKP-UHFFFAOYSA-N
Molecular Weight 488.151 g/mol
SMILES C(=C(CCI)I)(c1ccc(cc1)C)c1ccc(cc1)C
SPLASH splash10-00kr-0070900000-4f49d362dd4de9384e7b
Source of Spectrum K1-2004-4899-6
Wiley ID 1562074