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Bromadiolone
SpectraBase Compound ID HiQPwHdjIG6
InChI InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,28,32H,18H2
InChIKey QUNMLCCVZLKSGL-UHFFFAOYSA-N
Mol Weight 527.41 g/mol
Molecular Formula C30H23BrO4
Exact Mass 526.077972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JlZLV4568
Name Bromadiolone
CAS Registry Number 28772-56-7
Classification Rodenticide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 526.077972217 u
Formula C30H23BrO4
InChI InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,28,32H,18H2
InChIKey QUNMLCCVZLKSGL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 527.414 g/mol
Nominal Mass 526 u
Quality 945
SMILES OC(CC(C1C(C=2C(OC1=O)=CC=CC2)=O)C=1C=CC=CC1)C1=CC=C(C=2C=CC(=CC2)Br)C=C1
SPLASH splash10-0w90-3960000000-ed80b92b07c940c4b707
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Broprodifacoum 3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenyl-propyl]-2-hydroxy-chromen-4-one
Technique DI/MS
Wiley ID DD2024_000279