| SpectraBase Spectrum ID |
GlimT6zaaAQ |
| Name |
6-Anilino-3-methyl-3,7-diazabicyclo[3.3.0]oct-6-ene-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.100776669 u |
| Formula |
C13H13N3O2 |
| InChI |
InChI=1S/C13H13N3O2/c1-16-12(17)9-7-14-11(10(9)13(16)18)15-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,14,15) |
| InChIKey |
SXBPQTNCNMTVMC-UHFFFAOYSA-N |
| Molecular Weight |
243.266 g/mol |
| SMILES |
C12C(N(C)C(C2CN=C1NC=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943992 |
![6-Anilino-3-methyl-3,7-diazabicyclo[3.3.0]oct-6-ene-2,4-dione](/api/spectrum/GlimT6zaaAQ/structure.png?h=300&w=458 "6-Anilino-3-methyl-3,7-diazabicyclo[3.3.0]oct-6-ene-2,4-dione")
