| SpectraBase Spectrum ID |
LPVBn2XPUr9 |
| Name |
1-Nitro-4-phenoxyanthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.063722453 u |
| Formula |
C20H11NO5 |
| InChI |
InChI=1S/C20H11NO5/c22-19-13-8-4-5-9-14(13)20(23)18-16(26-12-6-2-1-3-7-12)11-10-15(17(18)19)21(24)25/h1-11H |
| InChIKey |
WGJZOKGIPCBXQK-UHFFFAOYSA-N |
| Molecular Weight |
345.310 g/mol |
| SMILES |
C12=C(C(C=3C(C2=O)=C(C=CC3OC2=CC=CC=C2)N(=O)=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833296 |
