| SpectraBase Spectrum ID |
7mYeC0QbTEu |
| Name |
3-Benzoyl-1,5-bis(3,4-dihydro-2H-quinolin-1-yl)-pentan-1,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.225642831 u |
| Formula |
C30H30N2O3 |
| InChI |
InChI=1S/C30H30N2O3/c33-28(31-18-8-14-22-10-4-6-16-26(22)31)20-25(30(35)24-12-2-1-3-13-24)21-29(34)32-19-9-15-23-11-5-7-17-27(23)32/h1-7,10-13,16-17,25H,8-9,14-15,18-21H2 |
| InChIKey |
SIIGZPKEKOOJTG-UHFFFAOYSA-N |
| Molecular Weight |
466.581 g/mol |
| SMILES |
C1=CC(=CC=C1)C(=O)C(CC(N1C=2C(=CC=CC2)CCC1)=O)CC(=O)N1CCCC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827897 |
