| SpectraBase Compound ID | 82AGghHyCBq |
|---|---|
| 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 |
| Mol Weight | 221.21 g/mol |
| Molecular Formula | C11H11NO4 |
| Exact Mass | 221.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IHbqO05aChR |
|---|---|
| Name | 4-Nitrobenzoic acid, cyclobutyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |