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 |