| SpectraBase Compound ID | 8NQDkCygutv |
|---|---|
| InChI | InChI=1S/C20H19FN2O2/c1-14(24)23-10-2-9-20(17-4-6-18(21)7-5-17)19-8-3-15(12-22)11-16(19)13-25-20/h3-8,11H,2,9-10,13H2,1H3,(H,23,24) |
| InChIKey | MJXCQDCWTBXXPG-UHFFFAOYSA-N |
| Mol Weight | 338.38 g/mol |
| Molecular Formula | C20H19FN2O2 |
| Exact Mass | 338.143056 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DwBpY8vrbjT |
|---|---|
| Name | Citalopram-m (bisnor) ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.143056021 u |
| Formula | C20H19FN2O2 |
| InChI | InChI=1S/C20H19FN2O2/c1-14(24)23-10-2-9-20(17-4-6-18(21)7-5-17)19-8-3-15(12-22)11-16(19)13-25-20/h3-8,11H,2,9-10,13H2,1H3,(H,23,24) |
| InChIKey | MJXCQDCWTBXXPG-UHFFFAOYSA-N |
| Molecular Weight | 338.382 g/mol |
| SMILES | C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCNC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88241 |