| SpectraBase Spectrum ID |
DYVv9ffSM2h |
| Name |
12-Amino-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-triene-2,8-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.100776669 u |
| Formula |
C12H13N3O2 |
| InChI |
InChI=1S/C12H13N3O2/c13-7-3-4-8-9(6-7)14-11(16)10-2-1-5-15(10)12(8)17/h3-4,6,10H,1-2,5,13H2,(H,14,16) |
| InChIKey |
RAXSZUBJYAGQTM-UHFFFAOYSA-N |
| Molecular Weight |
231.255 g/mol |
| SMILES |
C1(C2=C(C=C(C=C2)N)NC(C2CCCN12)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940525 |
![12-Amino-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-triene-2,8-dione](/api/spectrum/DYVv9ffSM2h/structure.png?h=300&w=458 "12-Amino-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-triene-2,8-dione")
