| SpectraBase Spectrum ID |
ARl0JV4Rr7F |
| Name |
(S)-3-((R)-5-Methyl-6-oxo-5,6,7,8-tetrahydro-phenanthridin-8-yl)-3-phenyl-propionaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.157228918 u |
| Formula |
C23H21NO2 |
| InChI |
InChI=1S/C23H21NO2/c1-24-22-10-6-5-9-20(22)19-12-11-17(15-21(19)23(24)26)18(13-14-25)16-7-3-2-4-8-16/h2-12,14,17-18H,13,15H2,1H3/t17-,18+/m0/s1 |
| InChIKey |
VQFGRCSUVDBCJL-ZWKOTPCHSA-N |
| Molecular Weight |
343.426 g/mol |
| SMILES |
C1=2C(N(C)C=3C(C2C=C[C@@](C1)([C@@](C1=CC=CC=C1)(CC=O)[H])[H])=CC=CC3)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831428 |
