| SpectraBase Compound ID | 4aOdA6GACGu |
|---|---|
| InChI | InChI=1S/C14H11NO4/c16-14(19-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17)18/h1-9H,10H2 |
| InChIKey | MVTPZNWBHYFOEA-UHFFFAOYSA-N |
| Mol Weight | 257.24 g/mol |
| Molecular Formula | C14H11NO4 |
| Exact Mass | 257.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Fvn6MqlTkE |
|---|---|
| Name | Benzyl o-nitro benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.068807834 u |
| Formula | C14H11NO4 |
| InChI | InChI=1S/C14H11NO4/c16-14(19-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17)18/h1-9H,10H2 |
| InChIKey | MVTPZNWBHYFOEA-UHFFFAOYSA-N |
| Molecular Weight | 257.245 g/mol |
| SMILES | C1(=CC=CC=C1N(=O)=O)C(OCC1=CC=CC=C1)=O |