| SpectraBase Spectrum ID |
6m6SOTKXXUL |
| Name |
Erythro-(+/-)-(Z)-6-benzylidene-3-(alpha-bromobenzyl)-3-hydroxy-1,4-dimethyl-piperazine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.057905477 u |
| Formula |
C20H19BrN2O3 |
| InChI |
InChI=1S/C20H19BrN2O3/c1-22-16(13-14-9-5-3-6-10-14)18(24)23(2)20(26,19(22)25)17(21)15-11-7-4-8-12-15/h3-13,17,26H,1-2H3/b16-13- |
| InChIKey |
NFKHJAGPEOCPRE-SSZFMOIBSA-N |
| Molecular Weight |
415.287 g/mol |
| SMILES |
CN1C(=O)C(O)(C(Br)C2=CC=CC=C2)N(C)C(=O)\C1=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957163 |
