SpectraBase Spectrum ID |
HjrjrOHhmDd |
Name |
5H-Cyclopenta[cd]phenalen-5-one, (2,4-dinitrophenyl)hydrazone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
384.085854878 u |
Formula |
C21H12N4O4 |
InChI |
InChI=1S/C21H12N4O4/c26-24(27)15-7-9-17(19(11-15)25(28)29)22-23-18-10-14-3-1-2-12-4-5-13-6-8-16(18)21(13)20(12)14/h1-11,22H/b23-18+ |
InChIKey |
YWBKPILKBXBVGL-PTGBLXJZSA-N |
Molecular Weight |
384.351 g/mol |
SMILES |
C12=C3C=4C=CC=C3C=CC1=CC=C2\C(C4)=N\NC=1C(N(=O)=O)=CC(N(=O)=O)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847253 |