| SpectraBase Spectrum ID |
Af6Gpvjop2K |
| Name |
(3S,6R)-3-Benzyl-6-phenyl-piperazine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.121177761 u |
| Formula |
C17H16N2O2 |
| InChI |
InChI=1S/C17H16N2O2/c20-16-14(11-12-7-3-1-4-8-12)18-17(21)15(19-16)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,18,21)(H,19,20)/t14-,15+/m0/s1 |
| InChIKey |
CSYHWYFWQOYUTM-LSDHHAIUSA-N |
| SMILES |
C1(N[C@@](C(N[C@]1(CC1=CC=CC=C1)[H])=O)(C=1C=CC=CC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973481 |
