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Octanoic acid, 2,6-dibromo-4-cyanophenyl ester
SpectraBase Compound ID 1ceGbLoOix3
InChI InChI=1S/C15H17Br2NO2/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 DQKWXTIYGWPGOO-UHFFFAOYSA-N
Mol Weight 403.11 g/mol
Molecular Formula C15H17Br2NO2
Exact Mass 400.962605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tBvWKGJylx
Name Bromoxynil octanoate
Source of Sample Sigma-Aldrich Cat. #45356
CAS Registry Number 1689-99-2
Classification Pesticides: Herbicides
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Formula C15H17Br2NO2
InChI InChI=1S/C15H17Br2NO2/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 DQKWXTIYGWPGOO-UHFFFAOYSA-N
Number of Peaks 227
RI1 2327
SMILES c1(c(cc(C#N)cc1Br)Br)OC(=O)CCCCCCC
SPLASH splash10-0a6r-9400000000-491032819efe503e882b
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Octanoic acid, 2,6-dibromo-4-cyanophenyl ester
Wiley ID LM_PEST_559