SpectraBase Compound ID | Lj8QOHag4LE |
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InChI | InChI=1S/C17H21NO5/c1-22-11-5-6-13(23-2)12(8-11)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 | LWAHMGRMSPTPKF-ANGCBRKESA-N |
Mol Weight | 319.36 g/mol |
Molecular Formula | C17H21NO5 |
Exact Mass | 319.141973 g/mol |
SpectraBase Spectrum ID | HHJMKtwStzP |
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Name | 3-[(2,5-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/c1-22-11-5-6-13(23-2)12(8-11)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 | LWAHMGRMSPTPKF-ANGCBRKESA-N |
Molecular Weight | 319.357 g/mol |
SMILES | OC([C@]1([C@](C(NC=2C=C(OC)C=CC2OC)=O)([C@]2(C[C@@]1(CC2)[H])[H])[H])[H])=O |