SpectraBase Spectrum ID |
G2X88ye7WLi |
Name |
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-(2-oxopropyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
213.074955842 u |
Formula |
C8H11N3O4 |
InChI |
InChI=1S/C8H11N3O4/c1-5(12)4-11-7(14)9(2)6(13)10(3)8(11)15/h4H2,1-3H3 |
InChIKey |
GAQZIFPEVWQAST-UHFFFAOYSA-N |
Molecular Weight |
213.193 g/mol |
SMILES |
CC(CN1C(N(C)C(N(C)C1=O)=O)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956885 |