| SpectraBase Spectrum ID |
L8V0CpxVTQa |
| Name |
(S)-1,4-Diacetyl-3-methyl-piperazine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.079706870 u |
| Formula |
C9H12N2O4 |
| InChI |
InChI=1S/C9H12N2O4/c1-5-9(15)10(6(2)12)4-8(14)11(5)7(3)13/h5H,4H2,1-3H3/t5-/m0/s1 |
| InChIKey |
BCCGVIDADIROFB-YFKPBYRVSA-N |
| Molecular Weight |
212.205 g/mol |
| SMILES |
C1(N(CC(N([C@]1(C)[H])C(=O)C)=O)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969348 |
