| SpectraBase Spectrum ID |
9xxlccqBjCa |
| Name |
1-Nitrofluoranthene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.063328532 u |
| Formula |
C16H9NO2 |
| InChI |
InChI=1S/C16H9NO2/c18-17(19)14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-9H |
| InChIKey |
AWYZHUPAWKZJSL-UHFFFAOYSA-N |
| Molecular Weight |
247.253 g/mol |
| SMILES |
C=1(N(=O)=O)C2=C3C(=CC=CC3=CC1)C=1C2=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831463 |
