| SpectraBase Spectrum ID |
2IQnn39b9D0 |
| Name |
2-Amino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-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 |
512.050233273 u |
| Formula |
C25H22BrClN2O3 |
| InChI |
InChI=1S/C25H22BrClN2O3/c1-25(2)10-19(30)23-21(11-25)32-24(29)18(12-28)22(23)17-9-15(26)5-8-20(17)31-13-14-3-6-16(27)7-4-14/h3-9,22H,10-11,13,29H2,1-2H3 |
| InChIKey |
VFBOSPYJNTYQJM-UHFFFAOYSA-N |
| Molecular Weight |
513.819 g/mol |
| SMILES |
NC1=C(C(C=2C(CC(CC2O1)(C)C)=O)C=1C(OCC=2C=CC(=CC2)Cl)=CC=C(C1)Br)C#N |
![2-amino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile](/api/spectrum/2IQnn39b9D0/structure.png?h=300&w=458 "2-amino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile")
