| SpectraBase Spectrum ID |
9KaYR8MqB09 |
| Name |
(3S,6S)-1,4-Diacetyl-3-isobutyl-6-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 |
268.142307128 u |
| Formula |
C13H20N2O4 |
| InChI |
InChI=1S/C13H20N2O4/c1-7(2)6-11-13(19)14(9(4)16)8(3)12(18)15(11)10(5)17/h7-8,11H,6H2,1-5H3/t8-,11-/m0/s1 |
| InChIKey |
BDJMZMDUFSRJLH-KWQFWETISA-N |
| SMILES |
C1(N([C@](C(N([C@]1(C)[H])C(=O)C)=O)(CC(C)C)[H])C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980725 |
