| SpectraBase Compound ID | Lkk8YEShMOy |
|---|---|
| InChI | InChI=1S/C14H11NO5/c1-19-13-5-3-2-4-12(13)14(16)20-11-8-6-10(7-9-11)15(17)18/h2-9H,1H3 |
| InChIKey | CPBMFVDCDPNIMB-UHFFFAOYSA-N |
| Mol Weight | 273.24 g/mol |
| Molecular Formula | C14H11NO5 |
| Exact Mass | 273.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69rdYlUP7y6 |
|---|---|
| Name | o-Anisic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.063722453 u |
| Formula | C14H11NO5 |
| InChI | InChI=1S/C14H11NO5/c1-19-13-5-3-2-4-12(13)14(16)20-11-8-6-10(7-9-11)15(17)18/h2-9H,1H3 |
| InChIKey | CPBMFVDCDPNIMB-UHFFFAOYSA-N |
| Molecular Weight | 273.244 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)OC |