| SpectraBase Compound ID | 2BJHrOO4G6i |
|---|---|
| InChI | InChI=1S/C17H13NO5/c1-2-11-22-17(19)14-5-3-13(4-6-14)12-23-16-9-7-15(8-10-16)18(20)21/h1,3-10H,11-12H2 |
| InChIKey | KZJUAXJJSWOHJW-UHFFFAOYSA-N |
| Mol Weight | 311.29 g/mol |
| Molecular Formula | C17H13NO5 |
| Exact Mass | 311.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95pT17Zg8EP |
|---|---|
| Name | alpha-(p-Nitrophenoxy)-p-toluic acid, 2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.079372518 u |
| Formula | C17H13NO5 |
| InChI | InChI=1S/C17H13NO5/c1-2-11-22-17(19)14-5-3-13(4-6-14)12-23-16-9-7-15(8-10-16)18(20)21/h1,3-10H,11-12H2 |
| InChIKey | KZJUAXJJSWOHJW-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)OCC=1C=CC(=CC1)C(OCC#C)=O |