| SpectraBase Spectrum ID |
B27vIpqHBZ2 |
| Name |
BROMOXYNIL-OCTANATE |
| 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 |
| Nominal Mass |
401 u |
| Number of Peaks |
110 |
| SMILES |
c1(c(OC(CCCCCCC)=O)c(Br)cc(c1)C#N)Br |
| SPLASH |
splash10-0a4i-9200000000-80154697b6ca84b73f70 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
2,6-dibromo-4-cyanophenyl octanoate |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3711 |
