SpectraBase Spectrum ID |
DkYRYl5fHEm |
Name |
Coumafuryl |
CAS Registry Number |
117-52-2 |
Classification |
Rodenticide |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); 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 |
901 |
Retention Index |
2228 |
SMILES |
OC1=C(C(C=2OC=CC2)CC(=O)C)C(OC=2C1=CC=CC2)=O |
SPLASH |
splash10-0ab9-8790000000-f63cdbc6d62fa9ace4f4 |
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_000814 |