| SpectraBase Compound ID | F6Fkt4sQIr4 |
|---|---|
| InChI | InChI=1S/C16H13NO5/c1-10-3-8-15(14(9-10)11(2)18)22-16(19)12-4-6-13(7-5-12)17(20)21/h3-9H,1-2H3 |
| InChIKey | TWRMLKRWFRJEIL-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 | EdUE6Gw6Olt |
|---|---|
| Name | (2-Acetyl-4-methyl-phenyl) 4-nitrobenzoate |
| 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/c1-10-3-8-15(14(9-10)11(2)18)22-16(19)12-4-6-13(7-5-12)17(20)21/h3-9H,1-2H3 |
| InChIKey | TWRMLKRWFRJEIL-UHFFFAOYSA-N |
| Molecular Weight | 299.282 g/mol |
| SMILES | C=1(C(=CC(=CC1)C)C(=O)C)OC(C=1C=CC(=CC1)N(=O)=O)=O |