SpectraBase Spectrum ID |
AI8tC6d7k7n |
Name |
2-(7-Nitro-1-indeno[2,1-B]pyridinyl)-1-phenylethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
330.100442316 u |
Formula |
C20H14N2O3 |
InChI |
InChI=1S/C20H14N2O3/c23-20(14-5-2-1-3-6-14)13-21-10-4-7-18-17-9-8-16(22(24)25)11-15(17)12-19(18)21/h1-12H,13H2 |
InChIKey |
DPWGPCRXAJFSPT-UHFFFAOYSA-N |
Molecular Weight |
330.343 g/mol |
SMILES |
C1=2C(C3=CC=C(N(=O)=O)C=C3C2)=CC=CN1CC(=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92021 |