| SpectraBase Compound ID | JpmXFLVjsCs |
|---|---|
| InChI | InChI=1S/C14H19NO4/c1-2-3-4-5-6-11-19-14(16)12-7-9-13(10-8-12)15(17)18/h7-10H,2-6,11H2,1H3 |
| InChIKey | WMUVYRILEXKYQK-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C14H19NO4 |
| Exact Mass | 265.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QVm5ZC1Brs |
|---|---|
| Name | 4-Nitrobenzoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.131408092 u |
| Formula | C14H19NO4 |
| InChI | InChI=1S/C14H19NO4/c1-2-3-4-5-6-11-19-14(16)12-7-9-13(10-8-12)15(17)18/h7-10H,2-6,11H2,1H3 |
| InChIKey | WMUVYRILEXKYQK-UHFFFAOYSA-N |
| Molecular Weight | 265.309 g/mol |
| SMILES | C1=CC(C(OCCCCCCC)=O)=CC=C1N(=O)=O |