| SpectraBase Spectrum ID |
DnD75cgwsQC |
| Name |
Bromadiolone-A (-2H) ME |
| Classification |
Rodenticide |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
538.077972217 u |
| Formula |
C31H23BrO4 |
| InChI |
InChI=1S/C31H23BrO4/c1-35-30-25-9-5-6-10-28(25)36-31(34)29(30)26(22-7-3-2-4-8-22)19-27(33)23-13-11-20(12-14-23)21-15-17-24(32)18-16-21/h2-18,26H,19H2,1H3 |
| InChIKey |
OWXNPXQHGKVVLZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
539.425 g/mol |
| Nominal Mass |
538 u |
| Quality |
863 |
| Retention Index |
3904 |
| SMILES |
C1(C(C2=CC=CC=C2)CC(C2=CC=C(C3=CC=C(C=C3)Br)C=C2)=O)=C(C=2C(OC1=O)=CC=CC2)OC |
| SPLASH |
splash10-01t9-1691000000-c280c8159764e28b4435 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-oxo-1-phenylpropyl)-4-methoxy-2H-chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000282 |
