| SpectraBase Compound ID | 1fpY8pR0mcz |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h5-8H,2-4,9H2,1H3 |
| InChIKey | BFKGHSXQYBELBN-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 | 4mT4wTqEvXA |
|---|---|
| Name | Benzoic acid, 4-nitro-, 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/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h5-8H,2-4,9H2,1H3 |
| InChIKey | BFKGHSXQYBELBN-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C1=CC(C(OCCCCC)=O)=CC=C1N(=O)=O |