| SpectraBase Compound ID | 8zhktPy7w6b |
|---|---|
| InChI | InChI=1S/C17H15NO6/c1-11(2)23-16(19)14-5-3-4-6-15(14)17(20)24-13-9-7-12(8-10-13)18(21)22/h3-11H,1-2H3 |
| InChIKey | WTDOQNNTRZODSB-UHFFFAOYSA-N |
| Mol Weight | 329.31 g/mol |
| Molecular Formula | C17H15NO6 |
| Exact Mass | 329.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLdb2o5X6xF |
|---|---|
| Name | Phthalic acid, 4-nitrophenyl 2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.089937201 u |
| Formula | C17H15NO6 |
| InChI | InChI=1S/C17H15NO6/c1-11(2)23-16(19)14-5-3-4-6-15(14)17(20)24-13-9-7-12(8-10-13)18(21)22/h3-11H,1-2H3 |
| InChIKey | WTDOQNNTRZODSB-UHFFFAOYSA-N |
| Molecular Weight | 329.308 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)C(OC(C)C)=O |