| SpectraBase Compound ID | Kc1YqSFSVnn |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-3-11(4-2)17-12(14)9-5-7-10(8-6-9)13(15)16/h5-8,11H,3-4H2,1-2H3 |
| InChIKey | XBZAJVHGVDXFNK-UHFFFAOYSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4AyJAVifw |
|---|---|
| Name | 4-Nitrobenzoic acid, 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-3-11(4-2)17-12(14)9-5-7-10(8-6-9)13(15)16/h5-8,11H,3-4H2,1-2H3 |
| InChIKey | XBZAJVHGVDXFNK-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C1(=CC=C(C(=O)OC(CC)CC)C=C1)N(=O)=O |