| SpectraBase Spectrum ID |
FxXDBz02NzU |
| Name |
N-{2,8-Dioxo-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(14),10,12-trien-12-yl}formamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.095691288 u |
| Formula |
C13H13N3O3 |
| InChI |
InChI=1S/C13H13N3O3/c17-7-14-8-3-4-9-10(6-8)15-12(18)11-2-1-5-16(11)13(9)19/h3-4,6-7,11H,1-2,5H2,(H,14,17)(H,15,18) |
| InChIKey |
MOCDGVNYUCPDRJ-UHFFFAOYSA-N |
| SMILES |
C1(C2CCCN2C(=O)C=2C=CC(NC=O)=CC2N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90464 |
![N-{2,8-Dioxo-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(14),10,12-trien-12-yl}formamide](/api/spectrum/FxXDBz02NzU/structure.png?h=300&w=458 "N-{2,8-Dioxo-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(14),10,12-trien-12-yl}formamide")
