| SpectraBase Compound ID | 7tztRpYWX8C |
|---|---|
| InChI | InChI=1S/C14H20ClNO2/c1-10(16-14(2,3)9-18-4)13(17)11-6-5-7-12(15)8-11/h5-8,10,16H,9H2,1-4H3 |
| InChIKey | ZFOMGPOTPRFBGG-UHFFFAOYSA-N |
| Mol Weight | 269.77 g/mol |
| Molecular Formula | C14H20ClNO2 |
| Exact Mass | 269.118257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 81RjISZSD8I |
|---|---|
| Name | Bupropion-m (oh) me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.118256586 u |
| Formula | C14H20ClNO2 |
| InChI | InChI=1S/C14H20ClNO2/c1-10(16-14(2,3)9-18-4)13(17)11-6-5-7-12(15)8-11/h5-8,10,16H,9H2,1-4H3 |
| InChIKey | ZFOMGPOTPRFBGG-UHFFFAOYSA-N |
| SMILES | C(NC(COC)(C)C)(C(C=1C=C(C=CC1)Cl)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844857 |