SpectraBase Spectrum ID |
9fPT8LTNe7n |
Name |
Phenol, 4-nitro-2-[3-(2-pyridylimino)prop-1-enyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.080041223 u |
Formula |
C14H11N3O3 |
InChI |
InChI=1S/C14H11N3O3/c18-13-7-6-12(17(19)20)10-11(13)4-3-9-16-14-5-1-2-8-15-14/h1-10,18H/b4-3+,16-9+ |
InChIKey |
OFUYQFCXSRDZTQ-BKXBXYNISA-N |
SMILES |
C1=CC=NC(=C1)\N=C\C=C\C=1C=C(N(=O)=O)C=CC1O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857065 |