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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 Lx6InMdn7JJ
Name Ioxynil octanoate
Source of Sample Sigma-Aldrich Cat. #33381
CAS Registry Number 3861-47-0
Classification Pesticides: Herbicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 496.934868789 u
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
Number of Peaks 48
RI1 2597
SMILES C(c1cc(c(c(c1)I)OC(CCCCCCC)=O)I)#N
SPLASH splash10-0a6r-9500000000-a9d8759e2e913ce90f07
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Octanoic acid, 4-cyano-2,6-diiodophenyl ester
Wiley ID LM_PEST_564