![Cyclohexanecarboxylic acid, 2-[[[4-(1-naphthalenyl)-2-thiazolyl]amino]carbonyl]-](/api/spectrum/I2urxbsXPIn/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, 2-[[[4-(1-naphthalenyl)-2-thiazolyl]amino]carbonyl]-")
| SpectraBase Compound ID | 7AeITRsgl6v |
|---|---|
| InChI | InChI=1S/C21H20N2O3S/c24-19(16-9-3-4-10-17(16)20(25)26)23-21-22-18(12-27-21)15-11-5-7-13-6-1-2-8-14(13)15/h1-2,5-8,11-12,16-17H,3-4,9-10H2,(H,25,26)(H,22,23,24) |
| InChIKey | PWIGSLKLZDUOPX-UHFFFAOYSA-N |
| Mol Weight | 380.46 g/mol |
| Molecular Formula | C21H20N2O3S |
| Exact Mass | 380.119464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2urxbsXPIn |
|---|---|
| Name | Cyclohexanecarboxylic acid, 2-[[[4-(1-naphthalenyl)-2-thiazolyl]amino]carbonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.119463683 u |
| Formula | C21H20N2O3S |
| InChI | InChI=1S/C21H20N2O3S/c24-19(16-9-3-4-10-17(16)20(25)26)23-21-22-18(12-27-21)15-11-5-7-13-6-1-2-8-14(13)15/h1-2,5-8,11-12,16-17H,3-4,9-10H2,(H,25,26)(H,22,23,24) |
| InChIKey | PWIGSLKLZDUOPX-UHFFFAOYSA-N |
| Molecular Weight | 380.462 g/mol |
| SMILES | N(C1=NC(C=2C3=C(C=CC=C3)C=CC2)=CS1)C(C1C(C(=O)O)CCCC1)=O |