SpectraBase Spectrum ID |
6ux4cz43nbP |
Name |
Octahydrodipyrido[1,2-A:1',2'-D]pyrazine-6,12(2H,6ah)-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.136827826 u |
Formula |
C12H18N2O2 |
InChI |
InChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2 |
InChIKey |
DVUOUKHMQDFLFQ-UHFFFAOYSA-N |
Molecular Weight |
222.288 g/mol |
SMILES |
C1N2C(C(N3C(CCCC3)C2=O)=O)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973631 |