| SpectraBase Compound ID | 4LKzxuGBzwv |
|---|---|
| InChI | InChI=1S/C13H16ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-8H,1-4H3 |
| InChIKey | LRMBUHXWGYATRN-UHFFFAOYSA-N |
| Mol Weight | 237.73 g/mol |
| Molecular Formula | C13H16ClNO |
| Exact Mass | 237.092042 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JVeaXygz9My |
|---|---|
| Name | Bupropion-A (-2H) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.092041838 u |
| Formula | C13H16ClNO |
| InChI | InChI=1S/C13H16ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-8H,1-4H3 |
| InChIKey | LRMBUHXWGYATRN-UHFFFAOYSA-N |
| Molecular Weight | 237.730 g/mol |
| SMILES | C(C1=CC(=CC=C1)Cl)(C(=NC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918105 |