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Ioxynil octanoate
SpectraBase Compound ID 7YbMrevtjMI
InChI InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
InChIKey QBEXFUOWUYCXNI-UHFFFAOYSA-N
Mol Weight 497.11 g/mol
Molecular Formula C15H17I2NO2
Exact Mass 496.934869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQ3Lq52JfCx
Name (4-cyano-2,6-diiodo-phenyl) octanoate
CAS Registry Number 3861-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17I2NO2
InChI InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
InChIKey QBEXFUOWUYCXNI-UHFFFAOYSA-N
Molecular Weight 497.115 g/mol
SMILES c1(cc(c(c(c1)I)OC(=O)CCCCCCC)I)C#N
SPLASH splash10-056r-9500000000-0d8e41b0741c758344b2
Synonyms caprylic acid (4-cyano-2,6-diiodo-phenyl) ester Octanoic acid (4-cyano-2,6-diiodophenyl) ester (4-cyano-2,6-diiodophenyl) octanoate
Wiley ID 1472315