| SpectraBase Spectrum ID |
5784DFAMbA5 |
| Name |
4-Nitrobenzoic acid, cyclobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c13-11(16-10-2-1-3-10)8-4-6-9(7-5-8)12(14)15/h4-7,10H,1-3H2 |
| InChIKey |
OOTUTDQAOLBOQG-UHFFFAOYSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OC1CCC1)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951975 |
