| SpectraBase Spectrum ID |
H6yT3Rlmrpe |
| Name |
1,4,7-Triazacyclononanae, 1-[1-formyl-3-(4-nitrophenyl)-2-propenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.169190581 u |
| Formula |
C16H22N4O3 |
| InChI |
InChI=1S/C16H22N4O3/c21-13-16(19-11-9-17-7-8-18-10-12-19)6-3-14-1-4-15(5-2-14)20(22)23/h1-6,13,16-18H,7-12H2/b6-3+ |
| InChIKey |
UVEQSMYRYVKCTG-ZZXKWVIFSA-N |
| Molecular Weight |
318.377 g/mol |
| SMILES |
C1CNCCN(CCN1)C(\C=C\C1=CC=C(C=C1)N(=O)=O)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853369 |
![1,4,7-Triazacyclononanae, 1-[1-formyl-3-(4-nitrophenyl)-2-propenyl]-](/api/spectrum/H6yT3Rlmrpe/structure.png?h=300&w=458 "1,4,7-Triazacyclononanae, 1-[1-formyl-3-(4-nitrophenyl)-2-propenyl]-")
