| SpectraBase Compound ID | Hdivs2RjDpC |
|---|---|
| InChI | InChI=1S/C24H23ClN2OS/c25-22-6-5-21(29-22)20-10-18(17-3-1-2-4-19(17)26-20)23(28)27-24-11-14-7-15(12-24)9-16(8-14)13-24/h1-6,10,14-16H,7-9,11-13H2,(H,27,28)/t14-,15+,16-,24- |
| InChIKey | YEGSIOJCWWCUJW-FNTHXKTLSA-N |
| Mol Weight | 422.97 g/mol |
| Molecular Formula | C24H23ClN2OS |
| Exact Mass | 422.121962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rHULwIEN03 |
|---|---|
| Name | N-(1-Adamantyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.121962242 u |
| Formula | C24H23ClN2OS |
| InChI | InChI=1S/C24H23ClN2OS/c25-22-6-5-21(29-22)20-10-18(17-3-1-2-4-19(17)26-20)23(28)27-24-11-14-7-15(12-24)9-16(8-14)13-24/h1-6,10,14-16H,7-9,11-13H2,(H,27,28)/t14-,15+,16-,24- |
| InChIKey | YEGSIOJCWWCUJW-FNTHXKTLSA-N |
| Molecular Weight | 422.974 g/mol |
| SMILES | N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C=1C=C(C=2SC(Cl)=CC2)N=C2C1C=CC=C2)=O |