| SpectraBase Spectrum ID |
K1HQhNRiLbx |
| Name |
3-Nitrobicyclo-[4.4.1]-undeca-1,3,5,7,9-pentaene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.063328532 u |
| Formula |
C11H9NO2 |
| InChI |
InChI=1S/C11H9NO2/c13-12(14)11-6-5-9-3-1-2-4-10(7-9)8-11/h1-6,8H,7H2 |
| InChIKey |
GULGFLGMCOVNSA-UHFFFAOYSA-N |
| Molecular Weight |
187.198 g/mol |
| SMILES |
C=1(N(=O)=O)C=C2C=CC=CC(=CC1)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845227 |
![3-Nitrobicyclo-[4.4.1]-undeca-1,3,5,7,9-pentaene](/api/spectrum/K1HQhNRiLbx/structure.png?h=300&w=458 "3-Nitrobicyclo-[4.4.1]-undeca-1,3,5,7,9-pentaene")
