SpectraBase Spectrum ID |
KpGE2NWJlL9 |
Name |
Propenone, 1-(4-bromophenyl)-3-(4-chloro-2-fluorophenylamino)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
352.961832808 u |
Formula |
C15H10BrClFNO |
InChI |
InChI=1S/C15H10BrClFNO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-9,19H/b8-7+ |
InChIKey |
ITVUXAIXNSMATR-BQYQJAHWSA-N |
Molecular Weight |
354.606 g/mol |
SMILES |
C1(=CC(=CC=C1N\C=C\C(C1=CC=C(C=C1)Br)=O)Cl)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937453 |