| SpectraBase Spectrum ID |
16XL7XZIRO8 |
| Name |
2-Amino-4-{5-[(2,4-difluorophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.139113454 u |
| Formula |
C23H20F2N2O4 |
| InChI |
InChI=1S/C23H20F2N2O4/c1-23(2)8-16(28)21-19(9-23)31-22(27)14(10-26)20(21)18-6-4-13(30-18)11-29-17-5-3-12(24)7-15(17)25/h3-7,20H,8-9,11,27H2,1-2H3 |
| InChIKey |
XQBMUIOYKPKURD-UHFFFAOYSA-N |
| Molecular Weight |
426.420 g/mol |
| SMILES |
NC1=C(C(C=2C(CC(CC2O1)(C)C)=O)C=1OC(COC=2C(=CC(=CC2)F)F)=CC1)C#N |
![2-amino-4-{5-[(2,4-difluorophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile](/api/spectrum/16XL7XZIRO8/structure.png?h=300&w=458 "2-amino-4-{5-[(2,4-difluorophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
