![2-(3,5-Dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-4-yl) benzoic acid](/api/spectrum/3sJDGhsS7V0/structure.png?h=300&w=458 "2-(3,5-Dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-4-yl) benzoic acid")
| SpectraBase Compound ID | DZbQUMJIB2 |
|---|---|
| InChI | InChI=1S/C16H15NO4/c18-14-12-8-5-6-9(7-8)13(12)15(19)17(14)11-4-2-1-3-10(11)16(20)21/h1-4,8-9,12-13H,5-7H2,(H,20,21) |
| InChIKey | NQFMEKCHBQAPAY-UHFFFAOYSA-N |
| Mol Weight | 285.3 g/mol |
| Molecular Formula | C16H15NO4 |
| Exact Mass | 285.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sJDGhsS7V0 |
|---|---|
| Name | 2-(3,5-Dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-4-yl) benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.100107963 u |
| Formula | C16H15NO4 |
| InChI | InChI=1S/C16H15NO4/c18-14-12-8-5-6-9(7-8)13(12)15(19)17(14)11-4-2-1-3-10(11)16(20)21/h1-4,8-9,12-13H,5-7H2,(H,20,21) |
| InChIKey | NQFMEKCHBQAPAY-UHFFFAOYSA-N |
| SMILES | C12C(C3CCC2C3)C(=O)N(C1=O)C1=C(C=CC=C1)C(O)=O |