| SpectraBase Compound ID | K9e84E6MuMV |
|---|---|
| InChI | InChI=1S/C15H11NO6/c1-9(17)11-7-12(16(20)21)14(8-13(11)18)22-15(19)10-5-3-2-4-6-10/h2-8,18H,1H3 |
| InChIKey | VRFNIANFKANCCL-UHFFFAOYSA-N |
| Mol Weight | 301.25 g/mol |
| Molecular Formula | C15H11NO6 |
| Exact Mass | 301.058637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0aRKA9amT8 |
|---|---|
| Name | 4'-(Benzoyloxy)-2'-hydroxy-5'-nitroacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.058637072 u |
| Formula | C15H11NO6 |
| InChI | InChI=1S/C15H11NO6/c1-9(17)11-7-12(16(20)21)14(8-13(11)18)22-15(19)10-5-3-2-4-6-10/h2-8,18H,1H3 |
| InChIKey | VRFNIANFKANCCL-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=C(C(=CC1OC(C=1C=CC=CC1)=O)O)C(C)=O |