| SpectraBase Compound ID | IHpdbXuyH7z |
|---|---|
| InChI | InChI=1S/C12H14Cl2N2O/c1-9(17)15-5-7-16(8-6-15)11-4-2-3-10(13)12(11)14/h2-4H,5-8H2,1H3 |
| InChIKey | WWLOMEAYTOTMSW-UHFFFAOYSA-N |
| Mol Weight | 273.16 g/mol |
| Molecular Formula | C12H14Cl2N2O |
| Exact Mass | 272.048318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mqtwXFsKZ9 |
|---|---|
| Name | Aripiprazole-m (N-dealkyl-) ac P728 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.048318478 u |
| Formula | C12H14Cl2N2O |
| InChI | InChI=1S/C12H14Cl2N2O/c1-9(17)15-5-7-16(8-6-15)11-4-2-3-10(13)12(11)14/h2-4H,5-8H2,1H3 |
| InChIKey | WWLOMEAYTOTMSW-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(N2CCN(CC2)C(C)=O)C=CC1)Cl)Cl |