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Difethialon ME
SpectraBase Compound ID 1xRylHaCX9X
InChI InChI=1S/C32H25BrO2S/c1-35-31-27-8-4-5-9-29(27)36-32(34)30(31)28-19-24(18-23-6-2-3-7-26(23)28)22-12-10-20(11-13-22)21-14-16-25(33)17-15-21/h2-17,24,28H,18-19H2,1H3
InChIKey QGNZNWXATAZGSS-UHFFFAOYSA-N
Mol Weight 553.5 g/mol
Molecular Formula C32H25BrO2S
Exact Mass 552.075864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JF4S3KokaMi
Name Difethialon ME
Classification Rodenticide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 552.075864217 u
Formula C32H25BrO2S
InChI InChI=1S/C32H25BrO2S/c1-35-31-27-8-4-5-9-29(27)36-32(34)30(31)28-19-24(18-23-6-2-3-7-26(23)28)22-12-10-20(11-13-22)21-14-16-25(33)17-15-21/h2-17,24,28H,18-19H2,1H3
InChIKey QGNZNWXATAZGSS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 553.514 g/mol
Nominal Mass 552 u
Quality 812
Retention Index 4008
SMILES C1(C2C=3C(CC(C2)C=2C=CC(C4=CC=C(C=C4)Br)=CC2)=CC=CC3)=C(C=2C(SC1=O)=CC=CC2)OC
SPLASH splash10-11ba-0595130000-83c8f829bd613dd5accd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methoxy-2H-thiochromen-2-one
Technique GC/MS
Wiley ID DD2024_000936