| SpectraBase Spectrum ID |
E81YJ7rUBBx |
| Name |
1-Benzyl-2,6-diphenyl-4^E-hydroxy-3,5-piperidinedicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.235873162 u |
| Formula |
C30H33NO5 |
| InChI |
InChI=1S/C30H33NO5/c1-3-35-29(33)24-26(22-16-10-6-11-17-22)31(20-21-14-8-5-9-15-21)27(23-18-12-7-13-19-23)25(28(24)32)30(34)36-4-2/h5-19,24-28,32H,3-4,20H2,1-2H3 |
| InChIKey |
VVQIZQHMOZRPAZ-UHFFFAOYSA-N |
| Molecular Weight |
487.596 g/mol |
| SMILES |
OC1C(C(N(C(C1C(=O)OCC)C=1C=CC=CC1)CC1=CC=CC=C1)C1=CC=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Raman) |
0.994575 |
