| SpectraBase Compound ID | 5dE5GPEWC0P |
|---|---|
| InChI | InChI=1S/C18H20ClF2NO3/c1-2-15(23)22(17(24)18(19,20)21)9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-25-14/h5-6,12H,2-4,7-10H2,1H3 |
| InChIKey | REOWCJPMTOFEKX-UHFFFAOYSA-N |
| Mol Weight | 371.81 g/mol |
| Molecular Formula | C18H20ClF2NO3 |
| Exact Mass | 371.109978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6XQdVXzSI5r |
|---|---|
| Name | Ramelteon, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.109977531 u |
| Formula | C18H20ClF2NO3 |
| InChI | InChI=1S/C18H20ClF2NO3/c1-2-15(23)22(17(24)18(19,20)21)9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-25-14/h5-6,12H,2-4,7-10H2,1H3 |
| InChIKey | REOWCJPMTOFEKX-UHFFFAOYSA-N |
| Molecular Weight | 371.812 g/mol |
| SMILES | C1=C2OCCC2=C2C(=C1)CCC2CCN(C(CC)=O)C(C(F)(F)Cl)=O |