| SpectraBase Compound ID | WT5BMqq98C |
|---|---|
| InChI | InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22(24)20-15-17-21(18-16-20)23(25)26/h15-18H,2-14,19H2,1H3 |
| InChIKey | JWGNROBCUZNKQT-UHFFFAOYSA-N |
| Mol Weight | 377.5 g/mol |
| Molecular Formula | C22H35NO4 |
| Exact Mass | 377.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B58pky6isOr |
|---|---|
| Name | 4-Nitrobenzoic acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.256608607 u |
| Formula | C22H35NO4 |
| InChI | InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-22(24)20-15-17-21(18-16-20)23(25)26/h15-18H,2-14,19H2,1H3 |
| InChIKey | JWGNROBCUZNKQT-UHFFFAOYSA-N |
| Molecular Weight | 377.525 g/mol |
| SMILES | C1=C(N(=O)=O)C=CC(=C1)C(OCCCCCCCCCCCCCCC)=O |