| SpectraBase Compound ID | ICxPjJhb50a |
|---|---|
| InChI | InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 |
| InChIKey | SNPPWIUOZRMYNY-UHFFFAOYSA-N |
| Mol Weight | 239.75 g/mol |
| Molecular Formula | C13H18ClNO |
| Exact Mass | 239.107692 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KoNnPhvTk17 |
|---|---|
| Name | Bupropion |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.107691903 u |
| Formula | C13H18ClNO |
| InChI | InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 |
| InChIKey | SNPPWIUOZRMYNY-UHFFFAOYSA-N |
| Molecular Weight | 239.746 g/mol |
| SMILES | N(C(C(C=1C=CC=C(C1)Cl)=O)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.952497 |