| SpectraBase Spectrum ID |
Dky0gsi8urA |
| Name |
Coumafuryl |
| CAS Registry Number |
117-52-2 |
| Classification |
Rodenticide |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
298.084123546 u |
| Formula |
C17H14O5 |
| InChI |
InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3 |
| InChIKey |
JFIXKFSJCQNGEK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
298.294 g/mol |
| Nominal Mass |
298 u |
| Quality |
878 |
| Retention Index |
2228 |
| SMILES |
OC1=C(C(C=2OC=CC2)CC(=O)C)C(OC=2C1=CC=CC2)=O |
| SPLASH |
splash10-05fu-8960000000-50e255b71b6f563c10ac |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cumafuryl
3-[1-(2-Furyl)-3-oxo-butyl]-2-hydroxy-chromen-4-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009303 |
