| SpectraBase Spectrum ID |
6IpKzGhqiaB |
| Name |
(E)-2-((Benzoylimino)methyl)-4-chlorophenyl 4-bromobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.976733980 u |
| Formula |
C21H13BrClNO3 |
| InChI |
InChI=1S/C21H13BrClNO3/c22-17-8-6-15(7-9-17)21(26)27-19-11-10-18(23)12-16(19)13-24-20(25)14-4-2-1-3-5-14/h1-13H/b24-13+ |
| InChIKey |
IEZVQKRPBFVPRO-ZMOGYAJESA-N |
| Molecular Weight |
442.696 g/mol |
| SMILES |
C1(=CC=C(OC(C2=CC=C(C=C2)Br)=O)C(\C=N\C(=O)C=2C=CC=CC2)=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852517 |
