| SpectraBase Compound ID | 4EH2QeySDVR |
|---|---|
| InChI | InChI=1S/C19H19NO6/c1-3-6-13(2)25-18(21)16-7-4-5-8-17(16)19(22)26-15-11-9-14(10-12-15)20(23)24/h4-5,7-13H,3,6H2,1-2H3 |
| InChIKey | HSDXXNXGAFJXRY-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 | GA379WObrvu |
|---|---|
| Name | Phthalic acid, 4-nitrophenyl 2-pentyl 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/c1-3-6-13(2)25-18(21)16-7-4-5-8-17(16)19(22)26-15-11-9-14(10-12-15)20(23)24/h4-5,7-13H,3,6H2,1-2H3 |
| InChIKey | HSDXXNXGAFJXRY-UHFFFAOYSA-N |
| Molecular Weight | 357.362 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(CCC)C)=O)C(OC1=CC=C(C=C1)N(=O)=O)=O |