| SpectraBase Compound ID | 1vDwx3k6VXN |
|---|---|
| InChI | InChI=1S/C21H33NO4/c1-3-5-6-7-8-9-10-11-13-20(12-4-2)26-21(23)18-14-16-19(17-15-18)22(24)25/h14-17,20H,3-13H2,1-2H3 |
| InChIKey | MQRBMRBRPBLCJJ-UHFFFAOYSA-N |
| Mol Weight | 363.5 g/mol |
| Molecular Formula | C21H33NO4 |
| Exact Mass | 363.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gPnET9yvEv |
|---|---|
| Name | 4-Nitrobenzoic acid, 4-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.240958543 u |
| Formula | C21H33NO4 |
| InChI | InChI=1S/C21H33NO4/c1-3-5-6-7-8-9-10-11-13-20(12-4-2)26-21(23)18-14-16-19(17-15-18)22(24)25/h14-17,20H,3-13H2,1-2H3 |
| InChIKey | MQRBMRBRPBLCJJ-UHFFFAOYSA-N |
| Molecular Weight | 363.498 g/mol |
| SMILES | C1(=CC=C(C=C1)N(=O)=O)C(=O)OC(CCCCCCCCCC)CCC |