| SpectraBase Compound ID | 89wyN0WX4L9 |
|---|---|
| InChI | InChI=1S/C21H21FN2O2/c1-15(25)24(2)11-3-10-21(18-5-7-19(22)8-6-18)20-9-4-16(13-23)12-17(20)14-26-21/h4-9,12H,3,10-11,14H2,1-2H3 |
| InChIKey | XSYWUOFETHDSCD-UHFFFAOYSA-N |
| Mol Weight | 352.41 g/mol |
| Molecular Formula | C21H21FN2O2 |
| Exact Mass | 352.158706 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 | CI4JmjsoN6B |
|---|---|
| Name | N-Desmethylcitalopram, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.158706085 u |
| Formula | C21H21FN2O2 |
| InChI | InChI=1S/C21H21FN2O2/c1-15(25)24(2)11-3-10-21(18-5-7-19(22)8-6-18)20-9-4-16(13-23)12-17(20)14-26-21/h4-9,12H,3,10-11,14H2,1-2H3 |
| InChIKey | XSYWUOFETHDSCD-UHFFFAOYSA-N |
| Molecular Weight | 352.409 g/mol |
| SMILES | CN(CCCC1(C2=CC=C(C=C2CO1)C#N)C1=CC=C(C=C1)F)C(C)=O |