![benzoic acid, 3-[[(1-oxo-1H-2-benzopyran-3-yl)carbonyl]amino]-](/api/spectrum/AlIaOUJUYs6/structure.png?h=300&w=458 "benzoic acid, 3-[[(1-oxo-1H-2-benzopyran-3-yl)carbonyl]amino]-")
| SpectraBase Compound ID | BxCjwSZFBbi |
|---|---|
| InChI | InChI=1S/C17H11NO5/c19-15(18-12-6-3-5-11(8-12)16(20)21)14-9-10-4-1-2-7-13(10)17(22)23-14/h1-9H,(H,18,19)(H,20,21) |
| InChIKey | ZXFQOTPXLNMLJJ-UHFFFAOYSA-N |
| Mol Weight | 309.28 g/mol |
| Molecular Formula | C17H11NO5 |
| Exact Mass | 309.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlIaOUJUYs6 |
|---|---|
| Name | Benzoic acid, 3-[[(1-oxo-1H-2-benzopyran-3-yl)carbonyl]amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.063722453 u |
| Formula | C17H11NO5 |
| InChI | InChI=1S/C17H11NO5/c19-15(18-12-6-3-5-11(8-12)16(20)21)14-9-10-4-1-2-7-13(10)17(22)23-14/h1-9H,(H,18,19)(H,20,21) |
| InChIKey | ZXFQOTPXLNMLJJ-UHFFFAOYSA-N |
| SMILES | N(C(C=1OC(=O)C=2C(C1)=CC=CC2)=O)C1=CC(C(=O)O)=CC=C1 |