| SpectraBase Compound ID | GBn8kQybYA5 |
|---|---|
| InChI | InChI=1S/C13H15ClN2O3/c14-11-3-1-10(2-4-11)13(18)15-5-6-16-7-8-19-9-12(16)17/h1-4H,5-9H2,(H,15,18) |
| InChIKey | MSTSJTNXRXBTIP-UHFFFAOYSA-N |
| Mol Weight | 282.73 g/mol |
| Molecular Formula | C13H15ClN2O3 |
| Exact Mass | 282.07712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhHaSdOHRHa |
|---|---|
| Name | Moclobemide-m (oxo) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.077120048 u |
| Formula | C13H15ClN2O3 |
| InChI | InChI=1S/C13H15ClN2O3/c14-11-3-1-10(2-4-11)13(18)15-5-6-16-7-8-19-9-12(16)17/h1-4H,5-9H2,(H,15,18) |
| InChIKey | MSTSJTNXRXBTIP-UHFFFAOYSA-N |
| Molecular Weight | 282.727 g/mol |
| SMILES | C(C=1C=CC(=CC1)Cl)(NCCN1C(COCC1)=O)=O |