![3-[(2,4-Dimethoxyanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid](/api/spectrum/82O5gXIo7sN/structure.png?h=300&w=458 "3-[(2,4-Dimethoxyanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid")
| SpectraBase Compound ID | 4ROb8KTfHeS |
|---|---|
| InChI | InChI=1S/C17H21NO5/c1-22-11-5-6-12(13(8-11)23-2)18-16(19)14-9-3-4-10(7-9)15(14)17(20)21/h5-6,8-10,14-15H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/t9-,10+,14-,15-/m1/s1 |
| InChIKey | IWHIYJSPCDXHFO-ANGCBRKESA-N |
| Mol Weight | 319.36 g/mol |
| Molecular Formula | C17H21NO5 |
| Exact Mass | 319.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82O5gXIo7sN |
|---|---|
| Name | 3-[(2,4-Dimethoxyanilino)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.141972775 u |
| Formula | C17H21NO5 |
| InChI | InChI=1S/C17H21NO5/c1-22-11-5-6-12(13(8-11)23-2)18-16(19)14-9-3-4-10(7-9)15(14)17(20)21/h5-6,8-10,14-15H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/t9-,10+,14-,15-/m1/s1 |
| InChIKey | IWHIYJSPCDXHFO-ANGCBRKESA-N |
| Molecular Weight | 319.357 g/mol |
| SMILES | OC([C@]1([C@](C(NC=2C(=CC(=CC2)OC)OC)=O)([C@]2(C[C@@]1(CC2)[H])[H])[H])[H])=O |