| SpectraBase Compound ID | JXycma1bCz5 |
|---|---|
| InChI | InChI=1S/C16H13NO5/c1-2-22-16(19)13-5-3-11(4-6-13)15(18)12-7-9-14(10-8-12)17(20)21/h3-10H,2H2,1H3 |
| InChIKey | SHCZCLVDUFEGFY-UHFFFAOYSA-N |
| Mol Weight | 299.28 g/mol |
| Molecular Formula | C16H13NO5 |
| Exact Mass | 299.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERHsViqe1A4 |
|---|---|
| Name | Benzoic acid, 4-(4-nitrobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.079372518 u |
| Formula | C16H13NO5 |
| InChI | InChI=1S/C16H13NO5/c1-2-22-16(19)13-5-3-11(4-6-13)15(18)12-7-9-14(10-8-12)17(20)21/h3-10H,2H2,1H3 |
| InChIKey | SHCZCLVDUFEGFY-UHFFFAOYSA-N |
| Molecular Weight | 299.282 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C(C2=CC=C(C(=O)OCC)C=C2)=O)C=C1 |