| SpectraBase Spectrum ID |
CIkAwMcoktl |
| Name |
(3R,6S)-1-Acetyl-4,6-dimethyl-3-(2-methylpropyl)piperazine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.147392509 u |
| Formula |
C12H20N2O3 |
| InChI |
InChI=1S/C12H20N2O3/c1-7(2)6-10-12(17)14(9(4)15)8(3)11(16)13(10)5/h7-8,10H,6H2,1-5H3/t8-,10+/m0/s1 |
| InChIKey |
RFXWEJKHLGDHPF-WCBMZHEXSA-N |
| Molecular Weight |
240.303 g/mol |
| SMILES |
C1(N([C@](C(N([C@@]1(CC(C)C)[H])C)=O)(C)[H])C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973398 |
