| SpectraBase Compound ID | 7l848fb9KVu |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3,(H,12,13)/b8-5+ |
| InChIKey | IQIJIAHSHBJYCO-VMPITWQZSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5aCn9bLKEg8 |
|---|---|
| Name | Fluoxetine-m (nor-) -H2O hyac @P331 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.099714042 u |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3,(H,12,13)/b8-5+ |
| InChIKey | IQIJIAHSHBJYCO-VMPITWQZSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C1=CC=C(\C=C\CNC(=O)C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946704 |