| SpectraBase Compound ID | AQFPe6Fiqet |
|---|---|
| InChI | InChI=1S/C16H13NO6/c1-11(18)12-2-6-15(7-3-12)23-16(19)10-22-14-8-4-13(5-9-14)17(20)21/h2-9H,10H2,1H3 |
| InChIKey | GGJIYFYVINOSOA-UHFFFAOYSA-N |
| Mol Weight | 315.28 g/mol |
| Molecular Formula | C16H13NO6 |
| Exact Mass | 315.074287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QsogrW7Vyc |
|---|---|
| Name | 4-Acetylphenyl 4-nitrophenoxyacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.074287137 u |
| Formula | C16H13NO6 |
| InChI | InChI=1S/C16H13NO6/c1-11(18)12-2-6-15(7-3-12)23-16(19)10-22-14-8-4-13(5-9-14)17(20)21/h2-9H,10H2,1H3 |
| InChIKey | GGJIYFYVINOSOA-UHFFFAOYSA-N |
| Molecular Weight | 315.281 g/mol |
| SMILES | C1(=CC=C(C=C1)OCC(OC1=CC=C(C=C1)C(C)=O)=O)N(=O)=O |