![3-[(4-Phenoxyanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid](/api/spectrum/BuGDUiYGQy3/structure.png?h=300&w=458 "3-[(4-Phenoxyanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid")
| SpectraBase Compound ID | 9RtbaZkEnyz |
|---|---|
| InChI | InChI=1S/C21H19NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-11,13-14,18-19H,12H2,(H,22,23)(H,24,25)/t13-,14+,18-,19-/m0/s1 |
| InChIKey | CQAKHYZWTCUJJW-FTUNRGFVSA-N |
| Mol Weight | 349.39 g/mol |
| Molecular Formula | C21H19NO4 |
| Exact Mass | 349.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BuGDUiYGQy3 |
|---|---|
| Name | 3-[(4-Phenoxyanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.131408092 u |
| Formula | C21H19NO4 |
| InChI | InChI=1S/C21H19NO4/c23-20(18-13-6-7-14(12-13)19(18)21(24)25)22-15-8-10-17(11-9-15)26-16-4-2-1-3-5-16/h1-11,13-14,18-19H,12H2,(H,22,23)(H,24,25)/t13-,14+,18-,19-/m0/s1 |
| InChIKey | CQAKHYZWTCUJJW-FTUNRGFVSA-N |
| Molecular Weight | 349.386 g/mol |
| SMILES | N(C=1C=CC(OC2=CC=CC=C2)=CC1)C([C@@]1([C@@](C(=O)O)([C@]2(C[C@@]1(C=C2)[H])[H])[H])[H])=O |