| SpectraBase Compound ID | EeWZ5Dv4Oft |
|---|---|
| InChI | InChI=1S/C12H18ClN3O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17) |
| InChIKey | RTQMQUZXBADBGJ-UHFFFAOYSA-N |
| Mol Weight | 271.75 g/mol |
| Molecular Formula | C12H18ClN3O2 |
| Exact Mass | 271.108755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vlG624JpwD |
|---|---|
| Name | Metoclopramide-m (desethyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.108754530 u |
| Formula | C12H18ClN3O2 |
| InChI | InChI=1S/C12H18ClN3O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17) |
| InChIKey | RTQMQUZXBADBGJ-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)Cl)N)OC)C(NCCNCC)=O |