SpectraBase Spectrum ID |
380cqwTJXGn |
Name |
2-[2'-(2''-Nitrophenyl)-2'-oxoethylidene]-1,2-dihydroindol-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.064056806 u |
Formula |
C16H10N2O4 |
InChI |
InChI=1S/C16H10N2O4/c19-15(11-6-2-4-8-14(11)18(21)22)9-13-16(20)10-5-1-3-7-12(10)17-13/h1-9,17H/b13-9- |
InChIKey |
BGKUTIYNDHAAJD-LCYFTJDESA-N |
SMILES |
C=12N\C(C(C1C=CC=C2)=O)=C\C(C=1C(N(=O)=O)=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92875 |