| SpectraBase Compound ID | 2vHAcljH4d8 |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-2-3-4-5-10-18-13(15)11-6-8-12(9-7-11)14(16)17/h6-9H,2-5,10H2,1H3 |
| InChIKey | OFWOUNKHYXUEPI-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMaBQKKfxli |
|---|---|
| Name | 4-Nitrobenzoic acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-2-3-4-5-10-18-13(15)11-6-8-12(9-7-11)14(16)17/h6-9H,2-5,10H2,1H3 |
| InChIKey | OFWOUNKHYXUEPI-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C1=CC(C(=O)OCCCCCC)=CC=C1N(=O)=O |