| SpectraBase Spectrum ID |
EqS8hqnolEh |
| Name |
Bromoxynil octanoate |
| Source of Sample |
Sigma-Aldrich Cat. #45356 |
| CAS Registry Number |
1689-99-2 |
| 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 |
400.962604789 u |
| 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 |
| Molecular Weight |
403.114 g/mol |
| Number of Peaks |
227 |
| RI1 |
2327 |
| SMILES |
c1(c(cc(C#N)cc1Br)Br)OC(=O)CCCCCCC |
| SPLASH |
splash10-0a6r-9400000000-491032819efe503e882b |
| 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, 2,6-dibromo-4-cyanophenyl ester |
| Wiley ID |
LM_PEST_559 |
