SpectraBase Spectrum ID |
6OXI3ZgPFi4 |
Name |
1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-2-(2-pyridinyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.085126604 u |
Formula |
C17H11N3O2 |
InChI |
InChI=1S/C17H11N3O2/c18-13-8-7-12-15-10(13)4-3-5-11(15)16(21)20(17(12)22)14-6-1-2-9-19-14/h1-9H,18H2 |
InChIKey |
STYATCDNTDDHNI-UHFFFAOYSA-N |
SMILES |
C1=CC=C2C3=C1C(N)=CC=C3C(N(C2=O)C=1C=CC=CN1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865197 |