SpectraBase Spectrum ID |
DZHa0InNf9 |
Name |
2,4,6-Tris(1-formylpropylidene)-hexahydro-1,3,5-triazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.158291545 u |
Formula |
C15H21N3O3 |
InChI |
InChI=1S/C15H21N3O3/c1-4-10(7-19)13-16-14(11(5-2)8-20)18-15(17-13)12(6-3)9-21/h7-9,16-18H,4-6H2,1-3H3/b13-10-,14-11+,15-12- |
InChIKey |
XAIJKMFGSXBBNR-XZHYJOEASA-N |
SMILES |
C(\C(=C\1N\C(N\C(N1)=C\(C=O)CC)=C\(CC)C=O)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948032 |