| SpectraBase Compound ID | 7kup0lj8F7i |
|---|---|
| InChI | InChI=1S/C18H20F3NO3/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 | LHZXVCKZZBNVGN-UHFFFAOYSA-N |
| Mol Weight | 355.36 g/mol |
| Molecular Formula | C18H20F3NO3 |
| Exact Mass | 355.139528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33BOUvZhsHX |
|---|---|
| Name | Ramelteon, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.139527994 u |
| Formula | C18H20F3NO3 |
| InChI | InChI=1S/C18H20F3NO3/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 | LHZXVCKZZBNVGN-UHFFFAOYSA-N |
| Molecular Weight | 355.357 g/mol |
| SMILES | C1=C2OCCC2=C2C(=C1)CCC2CCN(C(CC)=O)C(C(F)(F)F)=O |