| SpectraBase Spectrum ID |
JEyt3HCm32O |
| Name |
Coumachlor-A |
| Classification |
Rodenticide artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
356.081536723 u |
| Formula |
C20H17ClO4 |
| InChI |
InChI=1S/C20H17ClO4/c1-12(22)11-16(13-7-9-14(21)10-8-13)18-19(23)15-5-3-4-6-17(15)25-20(18)24-2/h3-10,16H,11H2,1-2H3 |
| InChIKey |
TXQICDPBGFMEAX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
356.805 g/mol |
| Nominal Mass |
356 u |
| Quality |
898 |
| Retention Index |
2606 |
| SMILES |
C=1(C(C2=CC=C(C=C2)Cl)CC(=O)C)C(C=2C(OC1OC)=CC=CC2)=O |
| SPLASH |
splash10-0abi-1797000000-ca8d7387c6af9c2f2acf |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(1-(4-chlorophenyl)-3-oxobutyl)-2-methoxy-4H-chromen-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000809 |
