| SpectraBase Compound ID | 1fB4wLoC28T |
|---|---|
| InChI | InChI=1S/C24H24N2O3/c27-23(26-18-11-5-2-6-12-18)22(29-24(28)17-9-3-1-4-10-17)20-15-16-25-21-14-8-7-13-19(20)21/h1,3-4,7-10,13-16,18,22H,2,5-6,11-12H2,(H,26,27) |
| InChIKey | CPSKZFLFYKYMRN-UHFFFAOYSA-N |
| Mol Weight | 388.47 g/mol |
| Molecular Formula | C24H24N2O3 |
| Exact Mass | 388.178693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20uWvMj1RvQ |
|---|---|
| Name | 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.178692638 u |
| Formula | C24H24N2O3 |
| InChI | InChI=1S/C24H24N2O3/c27-23(26-18-11-5-2-6-12-18)22(29-24(28)17-9-3-1-4-10-17)20-15-16-25-21-14-8-7-13-19(20)21/h1,3-4,7-10,13-16,18,22H,2,5-6,11-12H2,(H,26,27) |
| InChIKey | CPSKZFLFYKYMRN-UHFFFAOYSA-N |
| Molecular Weight | 388.467 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)OC(C(=O)NC1CCCCC1)C1=C2C=CC=CC2=NC=C1 |