| SpectraBase Spectrum ID |
EvSZI60qU9b |
| Name |
6-Bromanyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.073555541 u |
| Formula |
C22H21BrN2O3 |
| InChI |
InChI=1S/C22H21BrN2O3/c1-14-3-4-15(2)19(11-14)24-7-9-25(10-8-24)21(26)18-13-16-12-17(23)5-6-20(16)28-22(18)27/h3-6,11-13H,7-10H2,1-2H3 |
| InChIKey |
ISOQOXCFSNUQHM-UHFFFAOYSA-N |
| Molecular Weight |
441.325 g/mol |
| SMILES |
C=1(C(OC2=C(C1)C=C(C=C2)Br)=O)C(N1CCN(CC1)C=1C(=CC=C(C1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84971 |
![6-Bromanyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one](/api/spectrum/EvSZI60qU9b/structure.png?h=300&w=458 "6-Bromanyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one")
