| SpectraBase Compound ID | ABd0basmAsd |
|---|---|
| InChI | InChI=1S/C14H13NO4/c1-9(2)19-14(18)10-4-3-5-11(8-10)15-12(16)6-7-13(15)17/h3-9H,1-2H3 |
| InChIKey | XRYVGOUCSSRSLN-UHFFFAOYSA-N |
| Mol Weight | 259.26 g/mol |
| Molecular Formula | C14H13NO4 |
| Exact Mass | 259.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dz8ySrm4giA |
|---|---|
| Name | Isopropyl 3-(2,5-dioxopyrrol-1-yl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.084457899 u |
| Formula | C14H13NO4 |
| InChI | InChI=1S/C14H13NO4/c1-9(2)19-14(18)10-4-3-5-11(8-10)15-12(16)6-7-13(15)17/h3-9H,1-2H3 |
| InChIKey | XRYVGOUCSSRSLN-UHFFFAOYSA-N |
| Molecular Weight | 259.261 g/mol |
| SMILES | C1(C=CC(N1C1=CC(=CC=C1)C(OC(C)C)=O)=O)=O |