| SpectraBase Spectrum ID |
2lFxJA6rYqe |
| Name |
Coumafuryl ME II |
| Classification |
Rodenticide derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.099773610 u |
| Formula |
C18H16O5 |
| InChI |
InChI=1S/C18H16O5/c1-11(21-2)10-13(14-8-5-9-22-14)16-17(19)12-6-3-4-7-15(12)23-18(16)20/h3-10,13,19H,1-2H3/b11-10- |
| InChIKey |
JFBKYEPVRYHAPC-KHPPLWFESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.321 g/mol |
| Nominal Mass |
312 u |
| Quality |
899 |
| Retention Index |
2328 |
| SMILES |
OC1=C(C(C=2OC=CC2)\C=C\(OC)C)C(OC=2C1=CC=CC2)=O |
| SPLASH |
splash10-0229-4951000000-796aed2b825d44acb438 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(1-(furan-2-yl)-3-methoxybut-2-en-1-yl)-4-hydroxy-2H-chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009305 |
