| SpectraBase Spectrum ID |
AGr6PQfaVlf |
| Name |
1-Acetyl-6-benzylidene-3-isopropyl-piperazin-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.131742445 u |
| Formula |
C16H18N2O3 |
| InChI |
InChI=1S/C16H18N2O3/c1-10(2)14-16(21)18(11(3)19)13(15(20)17-14)9-12-7-5-4-6-8-12/h4-10,14H,1-3H3,(H,17,20)/b13-9+ |
| InChIKey |
IHTNGZYAZDSQSE-UKTHLTGXSA-N |
| SMILES |
C1(NC(\C(N(C1=O)C(C)=O)=C/C1=CC=CC=C1)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955428 |
