| SpectraBase Compound ID | LHBl1akwyzn |
|---|---|
| InChI | InChI=1S/C12H9NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h1,3-8H,9H2 |
| InChIKey | MXGZFNDFBAXWGJ-UHFFFAOYSA-N |
| Mol Weight | 231.21 g/mol |
| Molecular Formula | C12H9NO4 |
| Exact Mass | 231.053158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBQGJhzwfSt |
|---|---|
| Name | 4-Nitrobenzoic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.053157770 u |
| Formula | C12H9NO4 |
| InChI | InChI=1S/C12H9NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h1,3-8H,9H2 |
| InChIKey | MXGZFNDFBAXWGJ-UHFFFAOYSA-N |
| Molecular Weight | 231.207 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCC=CC#C)=O)N(=O)=O |