| SpectraBase Spectrum ID |
JIJU6qIW836 |
| Name |
Coumachlor-M/A (+H2O) TFA |
| Classification |
Rodenticide derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
456.058750418 u |
| Formula |
C21H16ClF3O6 |
| InChI |
InChI=1S/C21H16ClF3O6/c1-11(26)10-15(12-6-8-13(22)9-7-12)17-18(30-19(27)20(23,24)25)14-4-2-3-5-16(14)31-21(17,28)29/h2-9,15,28-29H,10H2,1H3 |
| InChIKey |
RLFSIFRXERSNMX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
456.801 g/mol |
| Nominal Mass |
456 u |
| Quality |
900 |
| Retention Index |
3276 |
| SMILES |
OC1(C(=C(C=2C(O1)=CC=CC2)OC(C(F)(F)F)=O)C(C=1C=CC(=CC1)Cl)CC(=O)C)O |
| SPLASH |
splash10-03di-1291300000-7eadc617539cea6c58a3 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(1-(4-chlorophenyl)-3-oxobutyl)-2,2-dihydroxy-2H-chromen-4-yl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000813 |
