| SpectraBase Compound ID | 40lE3srBhOx |
|---|---|
| InChI | InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3 |
| InChIKey | MVCQKIKWYUURMU-UHFFFAOYSA-N |
| Mol Weight | 401.6 g/mol |
| Molecular Formula | C25H39NO3 |
| Exact Mass | 401.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G23LT4UvHRl |
|---|---|
| Name | Cetilistat |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.292994117 u |
| Formula | C25H39NO3 |
| InChI | InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3 |
| InChIKey | MVCQKIKWYUURMU-UHFFFAOYSA-N |
| Molecular Weight | 401.591 g/mol |
| SMILES | C=12C=C(C=CC1N=C(OC2=O)OCCCCCCCCCCCCCCCC)C |