| SpectraBase Compound ID | 4oVqCW5JtL6 |
|---|---|
| InChI | InChI=1S/C19H19NO6/c1-2-12-25-18(21)15-8-4-5-9-16(15)19(22)26-13-11-14-7-3-6-10-17(14)20(23)24/h3-10H,2,11-13H2,1H3 |
| InChIKey | WANANQVIRAUUTN-UHFFFAOYSA-N |
| Mol Weight | 357.36 g/mol |
| Molecular Formula | C19H19NO6 |
| Exact Mass | 357.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uvd3rE3VXa |
|---|---|
| Name | Phthalic acid, 2-(2-nitrophenyl)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.121237330 u |
| Formula | C19H19NO6 |
| InChI | InChI=1S/C19H19NO6/c1-2-12-25-18(21)15-8-4-5-9-16(15)19(22)26-13-11-14-7-3-6-10-17(14)20(23)24/h3-10H,2,11-13H2,1H3 |
| InChIKey | WANANQVIRAUUTN-UHFFFAOYSA-N |
| Molecular Weight | 357.362 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCCC)=O |