| SpectraBase Spectrum ID |
ACPnDJcmTsE |
| Name |
(Z)-3-((5-Chloro-2-hydroxyphenyl)((3-phenylpropyl)imino)methyl)-1-(3-phenylpropyl)quinolin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.207405944 u |
| Formula |
C34H31ClN2O2 |
| InChI |
InChI=1S/C34H31ClN2O2/c35-27-19-20-32(38)29(23-27)33(36-21-9-15-25-11-3-1-4-12-25)30-24-37(22-10-16-26-13-5-2-6-14-26)31-18-8-7-17-28(31)34(30)39/h1-8,11-14,17-20,23-24,38H,9-10,15-16,21-22H2/b36-33- |
| InChIKey |
FYUMDDGWSQPECA-NECWGFRUSA-N |
| Molecular Weight |
535.087 g/mol |
| SMILES |
C1=CC=2N(CCCC3=CC=CC=C3)C=C(C(C2C=C1)=O)\C(C=1C=C(C=CC1O)Cl)=N/CCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961201 |
