| SpectraBase Spectrum ID |
JP7o6BEqTKD |
| Name |
Phenanthrene, picrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.075349764 u |
| Formula |
C20H13N3O7 |
| InChI |
InChI=1S/C14H10.C6H3N3O7/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H;1-2,10H |
| InChIKey |
QUKFYXPVLGBOEN-UHFFFAOYSA-N |
| Molecular Weight |
407.338 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O.C1=CC=2C3=C(C=CC=C3)C=CC2C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.966046 |
