| SpectraBase Compound ID | BNpE63PlGT0 |
|---|---|
| InChI | InChI=1S/C18H17NO6/c1-3-24-17(20)14-6-4-5-7-15(14)18(21)25-11-13-8-9-16(19(22)23)12(2)10-13/h4-10H,3,11H2,1-2H3 |
| InChIKey | CNIQDHBTYFFNIR-UHFFFAOYSA-N |
| Mol Weight | 343.34 g/mol |
| Molecular Formula | C18H17NO6 |
| Exact Mass | 343.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GstzwbaZgEk |
|---|---|
| Name | Phthalic acid, ethyl 3-methyl-4-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.105587265 u |
| Formula | C18H17NO6 |
| InChI | InChI=1S/C18H17NO6/c1-3-24-17(20)14-6-4-5-7-15(14)18(21)25-11-13-8-9-16(19(22)23)12(2)10-13/h4-10H,3,11H2,1-2H3 |
| InChIKey | CNIQDHBTYFFNIR-UHFFFAOYSA-N |
| Molecular Weight | 343.335 g/mol |
| SMILES | C1=CC(=C(C=C1)C(=O)OCC=1C=CC(=C(C)C1)N(=O)=O)C(=O)OCC |