![Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[[4-(2,4-dichlorophenyl)-2-thiazolyl]amino]carbonyl]-](/api/spectrum/Jv0ugPy5JFy/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[[4-(2,4-dichlorophenyl)-2-thiazolyl]amino]carbonyl]-")
| SpectraBase Compound ID | 7kkOjjruFEK |
|---|---|
| InChI | InChI=1S/C18H16Cl2N2O3S/c19-10-3-4-11(12(20)6-10)13-7-26-18(21-13)22-16(23)14-8-1-2-9(5-8)15(14)17(24)25/h3-4,6-9,14-15H,1-2,5H2,(H,24,25)(H,21,22,23)/t8-,9+,14-,15-/m1/s1 |
| InChIKey | SFVLIEZTBJKXKQ-WUEYEGCSSA-N |
| Mol Weight | 411.3 g/mol |
| Molecular Formula | C18H16Cl2N2O3S |
| Exact Mass | 410.025869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jv0ugPy5JFy |
|---|---|
| Name | Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[[4-(2,4-dichlorophenyl)-2-thiazolyl]amino]carbonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.025868954 u |
| Formula | C18H16Cl2N2O3S |
| InChI | InChI=1S/C18H16Cl2N2O3S/c19-10-3-4-11(12(20)6-10)13-7-26-18(21-13)22-16(23)14-8-1-2-9(5-8)15(14)17(24)25/h3-4,6-9,14-15H,1-2,5H2,(H,24,25)(H,21,22,23)/t8-,9+,14-,15-/m1/s1 |
| InChIKey | SFVLIEZTBJKXKQ-WUEYEGCSSA-N |
| Molecular Weight | 411.303 g/mol |
| SMILES | N(C([C@]1([C@](C(=O)O)([C@@]2(C[C@]1(CC2)[H])[H])[H])[H])=O)C1=NC(C2=C(C=C(C=C2)Cl)Cl)=CS1 |