| SpectraBase Compound ID | K02SVL4z84 |
|---|---|
| InChI | InChI=1S/C16H13NO6/c1-2-22-15(18)13-5-3-4-6-14(13)16(19)23-12-9-7-11(8-10-12)17(20)21/h3-10H,2H2,1H3 |
| InChIKey | AZSVXTXRMYAIPO-UHFFFAOYSA-N |
| Mol Weight | 315.28 g/mol |
| Molecular Formula | C16H13NO6 |
| Exact Mass | 315.074287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4cziTHxpHE |
|---|---|
| Name | Phthalic acid, ethyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.074287137 u |
| Formula | C16H13NO6 |
| InChI | InChI=1S/C16H13NO6/c1-2-22-15(18)13-5-3-4-6-14(13)16(19)23-12-9-7-11(8-10-12)17(20)21/h3-10H,2H2,1H3 |
| InChIKey | AZSVXTXRMYAIPO-UHFFFAOYSA-N |
| Molecular Weight | 315.281 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(C=1C(C(=O)OCC)=CC=CC1)=O)N(=O)=O |