![3-({[4-(4-isopropylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid](/api/spectrum/9cfNeN36xjq/structure.png?h=300&w=458 "3-({[4-(4-isopropylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid")
| SpectraBase Compound ID | DTPj1IdECG9 |
|---|---|
| InChI | InChI=1S/C20H22N2O4S/c1-10(2)11-3-5-12(6-4-11)13-9-27-20(21-13)22-18(23)16-14-7-8-15(26-14)17(16)19(24)25/h3-6,9-10,14-17H,7-8H2,1-2H3,(H,24,25)(H,21,22,23)/t14-,15+,16+,17+/m0/s1 |
| InChIKey | QGYBQIBQXQSKFO-YLFCFFPRSA-N |
| Mol Weight | 386.47 g/mol |
| Molecular Formula | C20H22N2O4S |
| Exact Mass | 386.130028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9cfNeN36xjq |
|---|---|
| Name | 3-({[4-(4-isopropylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)-7-oxabicyclo[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 | 386.130028366 u |
| Formula | C20H22N2O4S |
| InChI | InChI=1S/C20H22N2O4S/c1-10(2)11-3-5-12(6-4-11)13-9-27-20(21-13)22-18(23)16-14-7-8-15(26-14)17(16)19(24)25/h3-6,9-10,14-17H,7-8H2,1-2H3,(H,24,25)(H,21,22,23)/t14-,15+,16+,17+/m0/s1 |
| InChIKey | QGYBQIBQXQSKFO-YLFCFFPRSA-N |
| Molecular Weight | 386.466 g/mol |
| SMILES | N(C1=NC(=CS1)C=1C=CC(=CC1)C(C)C)C([C@]1([C@](C(=O)O)([C@@]2(O[C@]1(CC2)[H])[H])[H])[H])=O |