| SpectraBase Compound ID | 4snOsymM57M |
|---|---|
| InChI | InChI=1S/C19H25F3N2O4/c20-19(21,22)18(26)28-14-17(25)23-8-5-11-27-16-7-4-6-15(12-16)13-24-9-2-1-3-10-24/h4,6-7,12H,1-3,5,8-11,13-14H2,(H,23,25) |
| InChIKey | NBBPVTNOGKJZKD-UHFFFAOYSA-N |
| Mol Weight | 402.41 g/mol |
| Molecular Formula | C19H25F3N2O4 |
| Exact Mass | 402.176642 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 | DaSX1sUtAPe |
|---|---|
| Name | Roxatidine tfa P1453 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.176641778 u |
| Formula | C19H25F3N2O4 |
| InChI | InChI=1S/C19H25F3N2O4/c20-19(21,22)18(26)28-14-17(25)23-8-5-11-27-16-7-4-6-15(12-16)13-24-9-2-1-3-10-24/h4,6-7,12H,1-3,5,8-11,13-14H2,(H,23,25) |
| InChIKey | NBBPVTNOGKJZKD-UHFFFAOYSA-N |
| Molecular Weight | 402.414 g/mol |
| SMILES | C(C(OCC(=O)NCCCOC1=CC(CN2CCCCC2)=CC=C1)=O)(F)(F)F |