| SpectraBase Spectrum ID |
KRxbmMBj2RW |
| Name |
Coumafuryl ME I |
| 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(19)10-13(14-8-5-9-22-14)16-17(21-2)12-6-3-4-7-15(12)23-18(16)20/h3-9,13H,10H2,1-2H3 |
| InChIKey |
BXXZYHDGKRNNTH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.321 g/mol |
| Nominal Mass |
312 u |
| Quality |
909 |
| Retention Index |
2328 |
| SMILES |
C1(=C(C=2C(OC1=O)=CC=CC2)OC)C(C=1OC=CC1)CC(=O)C |
| SPLASH |
splash10-0229-4951000000-0122070023706f5b899c |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(1-(furan-2-yl)-3-oxobutyl)-4-methoxy-2H-chromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009304 |
