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3-(5,7-diiodo-3-oxo-1,3-dihydroisobenzofuran-1-yl)benzonitrile
SpectraBase Compound ID 3gyOxmhGEjF
InChI InChI=1S/C15H7I2NO2/c16-10-5-11-13(12(17)6-10)14(20-15(11)19)9-3-1-2-8(4-9)7-18/h1-6,14H
InChIKey TYFNYMZWGHWBPK-UHFFFAOYSA-N
Mol Weight 487.03 g/mol
Molecular Formula C15H7I2NO2
Exact Mass 486.856618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZp1UOTRmzm
Name 3-(5,7-diiodo-3-oxo-1,3-dihydroisobenzofuran-1-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H7I2NO2
InChI InChI=1S/C15H7I2NO2/c16-10-5-11-13(12(17)6-10)14(20-15(11)19)9-3-1-2-8(4-9)7-18/h1-6,14H
InChIKey TYFNYMZWGHWBPK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201109g
Molecular Weight 487.035 g/mol
SMILES c1c2c(c(cc1I)I)C(c1cccc(c1)C#N)OC2=O
SPLASH splash10-0a70-0905300000-c7d25013e4047a1424a1
Source of Spectrum A1-13-3198/SMS12-4i
Wiley ID 1753337