| SpectraBase Spectrum ID |
5Ql86FU6aPH |
| Name |
Brodifacoum |
| CAS Registry Number |
56073-10-0 |
| Classification |
Rodenticide |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
522.083057598 u |
| Formula |
C31H23BrO3 |
| InChI |
InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2 |
| InChIKey |
VEUZZDOCACZPRY-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
523.426 g/mol |
| Nominal Mass |
522 u |
| Reagent Gas |
Methane |
| SMILES |
OC1=C(C2C3=C(CC(C2)C2=CC=C(C=4C=CC(=CC4)Br)C=C2)C=CC=C3)C(OC=2C1=CC=CC2)=O |
| SPLASH |
splash10-03k9-4792050000-8fe8c0d995286b24a053 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-[3-[4-(4-Bromophenyl)phenyl]tetralin-1-yl]-2-hydroxy-chromen-4-one |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000268 |
