| SpectraBase Spectrum ID |
AkJjzMZ0qB4 |
| Name |
2,5-Piperazinedione, 6-methoxy-1-methyl-3-(phenylmethylene)-, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.100442316 u |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-15-12(17)10(14-11(16)13(15)18-2)8-9-6-4-3-5-7-9/h3-8,13H,1-2H3,(H,14,16)/b10-8- |
| InChIKey |
UBNURAPYIONIMC-NTMALXAHSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
C1(N(C(C(N\C1=C\C1=CC=CC=C1)=O)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983848 |
