| SpectraBase Spectrum ID |
9GVuEV7WogT |
| Name |
3-[4-(3-Chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.118984860 u |
| Formula |
C22H21ClN2O4 |
| InChI |
InChI=1S/C22H21ClN2O4/c1-14-6-7-16(13-18(14)23)24-8-10-25(11-9-24)21(26)17-12-15-4-3-5-19(28-2)20(15)29-22(17)27/h3-7,12-13H,8-11H2,1-2H3 |
| InChIKey |
MRRNBVFDSNQQCQ-UHFFFAOYSA-N |
| Molecular Weight |
412.873 g/mol |
| SMILES |
C=1(C(OC2=C(C1)C=CC=C2OC)=O)C(N1CCN(CC1)C=1C=C(Cl)C(=CC1)C)=O |
![3-[4-(3-Chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one](/api/spectrum/9GVuEV7WogT/structure.png?h=300&w=458 "3-[4-(3-Chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one")
