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Brodifacoum
SpectraBase Compound ID 8zkUjxtnfNg
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
Mol Weight 523.43 g/mol
Molecular Formula C31H23BrO3
Exact Mass 522.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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