| SpectraBase Spectrum ID |
5HTB8TKWMHd |
| Name |
Butanoic acid, 4-[(2,5-dichlorophenyl)amino]-4-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.948326331 u |
| Formula |
C18H14BrCl2NO4 |
| InChI |
InChI=1S/C18H14BrCl2NO4/c19-12-3-1-11(2-4-12)16(23)10-26-18(25)8-7-17(24)22-15-9-13(20)5-6-14(15)21/h1-6,9H,7-8,10H2,(H,22,24) |
| InChIKey |
QQEWKBKXVAOIHY-UHFFFAOYSA-N |
| Molecular Weight |
459.123 g/mol |
| SMILES |
N(C1=CC(Cl)=CC=C1Cl)C(=O)CCC(OCC(C=1C=CC(=CC1)Br)=O)=O |
![Butanoic acid, 4-[(2,5-dichlorophenyl)amino]-4-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester](/api/spectrum/5HTB8TKWMHd/structure.png?h=300&w=458 "Butanoic acid, 4-[(2,5-dichlorophenyl)amino]-4-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester")
