| SpectraBase Spectrum ID |
Ca5OKXmEKrl |
| Name |
(Z)-3-((5-Bromo-2-hydroxyphenyl)(phenethylimino)methyl)-6-fluoro-1-phenethylquinolin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
568.116169246 u |
| Formula |
C32H26BrFN2O2 |
| InChI |
InChI=1S/C32H26BrFN2O2/c33-24-11-14-30(37)27(19-24)31(35-17-15-22-7-3-1-4-8-22)28-21-36(18-16-23-9-5-2-6-10-23)29-13-12-25(34)20-26(29)32(28)38/h1-14,19-21,37H,15-18H2/b35-31- |
| InChIKey |
UKBREFIPOMEYAO-LLZINOMRSA-N |
| Molecular Weight |
569.474 g/mol |
| SMILES |
C1=CC=2N(CCC3=CC=CC=C3)C=C(C(C2C=C1F)=O)\C(C=1C=C(C=CC1O)Br)=N/CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975296 |
